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

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-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-(1-cyanocyclohexyl)-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-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-(1-cyanocyclohexyl)-N-methylacetamide Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclohexyl)-N-methyl-acetamide Formula: C23H25N5OS2 MolecularWeight: 451.6075

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CS3)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CS3)C4(CCCCC4)C#N

InChI

InChI=1S/C23H25N5OS2/c1-27(23(17-24)12-6-3-7-13-23)20(29)16-31-22-26-25-21(19-11-8-14-30-19)28(22)15-18-9-4-2-5-10-18/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3