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

Systemtic Name: N-(2-cyanoethyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-(4-ethoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[[4-p-phenetyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H24N6O2S MolecularWeight: 484.57276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C26H24N6O2S/c1-2-34-23-11-9-22(10-12-23)32-25(20-13-16-28-17-14-20)29-30-26(32)35-19-24(33)31(18-6-15-27)21-7-4-3-5-8-21/h3-5,7-14,16-17H,2,6,18-19H2,1H3