4-[[cyclopropyl-[(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[cyclopropyl-[(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[cyclopropyl-[(3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]amino]methyl]-N-methyl-benzamide CAS Name: 4-[[cyclopropyl-[(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]-N-methylbenzamide IUPAC Name: 4-[[cyclopropyl-[(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]-N-methylbenzamide Traditional Name: 4-[[cyclopropyl-[(3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]amino]methyl]-N-methyl-benzamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(CN2C(=S)N(C(=N2)C3CC3)C4CC4)C5CC5

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(CN2C(=S)N(C(=N2)C3CC3)C4CC4)C5CC5

InChI

InChI=1S/C21H27N5OS/c1-22-20(27)16-4-2-14(3-5-16)12-24(17-8-9-17)13-25-21(28)26(18-10-11-18)19(23-25)15-6-7-15/h2-5,15,17-18H,6-13H2,1H3,(H,22,27)