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

Systemtic Name: N-(3-cyanophenyl)-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-(3-cyanophenyl)acetamide CAS Name: N-(3-cyanophenyl)-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-(3-cyanophenyl)acetamide Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(3-cyanophenyl)acetamide Formula: C22H17N5OS2 MolecularWeight: 431.53328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C#N)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C22H17N5OS2/c23-13-17-8-4-9-18(12-17)24-20(28)15-30-22-26-25-21(19-10-5-11-29-19)27(22)14-16-6-2-1-3-7-16/h1-12H,14-15H2,(H,24,28)