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

Systemtic Name: N-(2-cyanoethyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(4-methylphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)acetamide Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(CCC#N)C2=CC=C(C=C2)C)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(CCC#N)C2=CC=C(C=C2)C)C3=CC=NC=C3

InChI

InChI=1S/C21H22N6OS/c1-3-26-20(17-9-12-23-13-10-17)24-25-21(26)29-15-19(28)27(14-4-11-22)18-7-5-16(2)6-8-18/h5-10,12-13H,3-4,14-15H2,1-2H3