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

Systemtic Name: N-(2-cyanoethyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=NC=C3

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=NC=C3

InChI

InChI=1S/C20H20N6O2S/c1-25(13-3-10-21)18(27)14-29-20-24-23-19(15-8-11-22-12-9-15)26(20)16-4-6-17(28-2)7-5-16/h4-9,11-12H,3,13-14H2,1-2H3