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cafenstrole

PropertiesImage
MNX_IDMNXM45184 Image of MNXM45184
referencechebi:81787
formulaC16H22N4O3S
global charge0
mol weight350.444
InChIKeyHFEJHAAIJZXXRE-UHFFFAOYSA-N
InChIInChI=1S/C16H22N4O3S/c1-6-19(7-2)16(21)20-10-17-15(18-20)24(22,23)14-12(4)8-11(3)9-13(14)5/h8-10H,6-7H2,1-5H3
SMILESCCN(CC)C(=O)N1C=NC(S(=O)(=O)C2=C(C)C=C(C)C=C2C)=N1
MNX internals
InChI (mnx)InChI=1/C16H22N4O3S/c1-6-19(7-2)16(21)20-10-17-15(18-20)24(22,23)14-12(4)8-11(3)9-13(14)5/h8-10H,6-7H2,1-5H3 Image of MNXM45184
SMILES (mnx)[CH3:1][CH2:6][N:19]([CH2:7][CH3:2])[C:16]([N:20]1[CH:10]=[N:17][C:15]([S:24]([C:14]2=[C:12]([CH3:4])[CH:8]=[C:11]([CH3:3])[CH:9]=[C:13]2[CH3:5])(=[O:22])=[O:23])=[N:18]1)=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:81787
chebi:81787
HFEJHAAIJZXXRE-UHFFFAOYSA-N 		cafenstrole
N,N-diethyl-3-(2,4,6-trimethylbenzene-1-sulfonyl)-1H-1,2,4-triazole-1-carboxamide
N,N-diethyl-3-(mesitylsulfonyl)-1H-1,2,4-triazole-1-carboxamide
N,N-diethyl-3-[(2,4,6-trimethylphenyl)sulfonyl]-1H-1,2,4-triazole-1-carboxamide
N,N-diethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamide

seed.compound:cpd19761
seedM:cpd19761
kegg.compound:C18497
keggC:C18497
HFEJHAAIJZXXRE-UHFFFAOYSA-N 		Cafenstrole

keggC:M_C18497
seedM:M_cpd19761 		secondary/obsolete/fantasy identifier