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

Systemtic Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-N-p-phenetyl-acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C21H21N5O2S/c1-2-28-19-11-9-18(10-12-19)25(14-6-13-22)20(27)15-29-21-24-23-16-26(21)17-7-4-3-5-8-17/h3-5,7-12,16H,2,6,14-15H2,1H3