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

Systemtic Name: N-(2-cyanoethyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C20H19N5O2S/c1-27-18-10-5-9-17(13-18)25-15-22-23-20(25)28-14-19(26)24(12-6-11-21)16-7-3-2-4-8-16/h2-5,7-10,13,15H,6,12,14H2,1H3