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

Systemtic Name: N-(cyanomethyl)-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-(cyanomethyl)-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-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-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C23H19N5OS2 MolecularWeight: 445.55986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N5OS2/c24-13-14-27(19-10-5-2-6-11-19)21(29)17-31-23-26-25-22(20-12-7-15-30-20)28(23)16-18-8-3-1-4-9-18/h1-12,15H,14,16-17H2