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

Systemtic Name: N-(2-cyanoethyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C26H25N5OS2 MolecularWeight: 487.6396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C26H25N5OS2/c27-15-8-16-30(22-11-5-2-6-12-22)25(32)20-34-26-29-28-24(19-23-13-7-18-33-23)31(26)17-14-21-9-3-1-4-10-21/h1-7,9-13,18H,8,14,16-17,19-20H2