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

Systemtic Name: N-(4-chlorophenyl)-2-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-amino]ethanamide Openeye Name: N-(4-chlorophenyl)-2-[[4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]acetamide CAS Name: N-(4-chlorophenyl)-2-[[4-cyclopropyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]acetamide Traditional Name: N-(4-chlorophenyl)-2-[[4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]acetamide Formula: C20H21ClN6OS MolecularWeight: 428.93834

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)Cl)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)Cl)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

InChI

InChI=1S/C20H21ClN6OS/c1-25(12-18(28)23-16-6-4-15(21)5-7-16)13-26-20(29)27(17-8-9-17)19(24-26)14-3-2-10-22-11-14/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,23,28)