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

Systemtic Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-acetamide Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O2S/c1-3-27-21(17-10-13-24-14-11-17)25-26-22(27)31-16-20(29)28(15-5-12-23)18-6-8-19(9-7-18)30-4-2/h6-11,13-14H,3-5,15-16H2,1-2H3