N-(2-cyanoethyl)-N-phenyl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C24H20N6OS MolecularWeight: 440.5202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C24H20N6OS/c25-14-7-17-29(20-8-3-1-4-9-20)22(31)18-32-24-28-27-23(19-12-15-26-16-13-19)30(24)21-10-5-2-6-11-21/h1-6,8-13,15-16H,7,17-18H2