| Properties | Image |
|---|
| MNX_ID | MNXM160520 |
 |
| reference | chebi:32059 |
| formula | C24H27ClN6O2S |
| global charge | 0 |
| mol weight | 499.04 |
| InChIKey | YCXARMXCESBEDS-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H20N2S.C7H7ClN4O2/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-11,13H,12H2,1-3H3;1-2H3,(H,9,10) |
| SMILES | CC(CN1C2=CC=CC=C2SC2=C1C=CC=C2)N(C)C.CN1C(=O)C2=C(N=C(Cl)N2)N(C)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C17H20N2S.C7H7ClN4O2/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-11,13H,12H2,1-3H3;1-2H3,(H,9,10)/t13?; |
 |
| SMILES (mnx) | [CH3:1][CH:13]([CH2:12][N:19]1[C:14]2=[CH:8][CH:4]=[CH:6][CH:10]=[C:16]2[S:20][C:17]2=[CH:11][CH:7]=[CH:5][CH:9]=[C:15]21)[N:18]([CH3:2])[CH3:3].[CH3:21][N:31]1[C:24]2=[C:23]([C:25](=[O:33])[N:32]([CH3:22])[C:27]1=[O:34])[N:29]=[C:26]([Cl:28])[NH:30]2 |
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