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

Systemtic Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C22H22N6O2S/c1-3-14-28-21(17-9-12-24-13-10-17)25-26-22(28)31-16-20(29)27(15-6-11-23)18-7-4-5-8-19(18)30-2/h3-5,7-10,12-13H,1,6,14-16H2,2H3