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

Systemtic Name: N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxyphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxyphenyl)acetamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(CCC#N)C2=CC=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(CCC#N)C2=CC=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C22H23N5O2S/c1-3-26-21(17-10-5-4-6-11-17)24-25-22(26)30-16-20(28)27(15-9-14-23)18-12-7-8-13-19(18)29-2/h4-8,10-13H,3,9,15-16H2,1-2H3