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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C24H21N5OS2/c25-14-8-15-28(20-11-5-2-6-12-20)22(30)18-32-24-27-26-23(21-13-7-16-31-21)29(24)17-19-9-3-1-4-10-19/h1-7,9-13,16H,8,15,17-18H2