N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-methylpropanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-methyl-propionamide Formula: C22H29N5OS MolecularWeight: 411.56356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N(C)C2(CCCCC2)C#N)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)N(C)C2(CCCCC2)C#N)C3=CC=CC=C3C

InChI

InChI=1S/C22H29N5OS/c1-5-27-19(18-12-8-7-11-16(18)2)24-25-21(27)29-17(3)20(28)26(4)22(15-23)13-9-6-10-14-22/h7-8,11-12,17H,5-6,9-10,13-14H2,1-4H3