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

Systemtic Name: 4-[[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6OS/c1-22-20(28)17-5-3-15(4-6-17)13-25(2)14-26-21(29)27(18-7-8-18)19(24-26)16-9-11-23-12-10-16/h3-6,9-12,18H,7-8,13-14H2,1-2H3,(H,22,28)