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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(C)C3(CCCCC3)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C20H25N5OS/c1-3-15-7-9-16(10-8-15)18-22-19(24-23-18)27-13-17(26)25(2)20(14-21)11-5-4-6-12-20/h7-10H,3-6,11-13H2,1-2H3,(H,22,23,24)