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

Systemtic Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)acetamide Formula: C24H21N5OS2 MolecularWeight: 459.58644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C24H21N5OS2/c1-18-10-12-19(13-11-18)28(15-6-14-25)22(30)17-32-24-27-26-23(21-9-5-16-31-21)29(24)20-7-3-2-4-8-20/h2-5,7-13,16H,6,15,17H2,1H3