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

Systemtic Name: 4-[[cyclopropyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[cyclopropyl-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]amino]methyl]-N-methyl-benzamide CAS Name: 4-[[cyclopropyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]-N-methylbenzamide IUPAC Name: 4-[[cyclopropyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]-N-methylbenzamide Traditional Name: 4-[[cyclopropyl-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]amino]methyl]-N-methyl-benzamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(CN2C(=S)N(C=N2)C3=CC=CC=C3)C4CC4

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(CN2C(=S)N(C=N2)C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H23N5OS/c1-22-20(27)17-9-7-16(8-10-17)13-24(18-11-12-18)15-26-21(28)25(14-23-26)19-5-3-2-4-6-19/h2-10,14,18H,11-13,15H2,1H3,(H,22,27)