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

Systemtic Name: 4-[[[3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[(4-benzyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[(4-benzyl-3-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[(4-benzyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]-N-methyl-benzamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5OS/c1-24-22(29)20-10-8-18(9-11-20)14-26(2)16-28-23(30)27(21(25-28)19-12-13-19)15-17-6-4-3-5-7-17/h3-11,19H,12-16H2,1-2H3,(H,24,29)