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

Systemtic Name: N-(cyanomethyl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C23H25N5OS2 MolecularWeight: 451.6075

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)N(CC#N)C3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)N(CC#N)C3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C23H25N5OS2/c24-13-14-27(18-8-3-1-4-9-18)22(29)17-31-23-26-25-21(16-20-12-7-15-30-20)28(23)19-10-5-2-6-11-19/h1,3-4,7-9,12,15,19H,2,5-6,10-11,14,16-17H2