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

Systemtic Name: N-(2-cyanoethyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-(4-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-N-methyl-2-[[4-p-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(C)CCC#N)C3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(C)CCC#N)C3=CN=CC=C3

InChI

InChI=1S/C21H22N6O2S/c1-3-29-18-9-7-17(8-10-18)27-20(16-6-4-12-23-14-16)24-25-21(27)30-15-19(28)26(2)13-5-11-22/h4,6-10,12,14H,3,5,13,15H2,1-2H3