2-[[4-cyclohexyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-cyclohexyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-cyclohexyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-cyclohexyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4OS/c1-19-9-8-12-21(17-19)24-27-28-25(29(24)22-13-6-3-7-14-22)31-18-23(30)26-16-15-20-10-4-2-5-11-20/h2,4-5,8-12,17,22H,3,6-7,13-16,18H2,1H3,(H,26,30)