2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-cyclohexylphenyl)ethanone

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-cyclohexylphenyl)ethanone Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-cyclohexylphenyl)ethanone CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(4-cyclohexylphenyl)ethanone IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-cyclohexylphenyl)ethanone Traditional Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(4-cyclohexylphenyl)ethanone Formula: C23H31N3OS MolecularWeight: 397.57674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C23H31N3OS/c1-17-24-25-23(26(17)21-10-6-3-7-11-21)28-16-22(27)20-14-12-19(13-15-20)18-8-4-2-5-9-18/h12-15,18,21H,2-11,16H2,1H3