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LSM-6645

PropertiesImage
MNX_IDMNXM530569 Image of MNXM530569
referencechebi:95297
formulaC14H16N2OS
global charge0
mol weight260.362
InChIKeyMTLJBAFNMHPGBV-UHFFFAOYSA-N
InChIInChI=1S/C14H16N2OS/c1-2-11-3-5-12(6-4-11)7-8-13(17)16-14-15-9-10-18-14/h3-8H,2,9-10H2,1H3,(H,15,16,17)
SMILESCCC1=CC=C(C=CC(=O)NC2=NCCS2)C=C1
MNX internals
InChI (mnx)InChI=1/C14H16N2OS/c1-2-11-3-5-12(6-4-11)7-8-13(17)16-14-15-9-10-18-14/h3-8H,2,9-10H2,1H3,(H,15,16,17)/b8-7? Image of MNXM530569
SMILES (mnx)[CH3:1][CH2:2][C:11]1=[CH:4][CH:6]=[C:12]([CH:7]=[CH:8][C:13](=[N:16][C:14]2=[N:15][CH2:9][CH2:10][S:18]2)[OH:17])[CH:5]=[CH:3]1
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:95297
chebi:95297
MTLJBAFNMHPGBV-UHFFFAOYSA-N 		LSM-6645