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

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)ethanone Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)ethanone CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethylphenyl)ethanone IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)ethanone Traditional Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethylphenyl)ethanone Formula: C19H25N3OS MolecularWeight: 343.4863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3CCCCC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3CCCCC3)C)C

InChI

InChI=1S/C19H25N3OS/c1-13-9-10-16(11-14(13)2)18(23)12-24-19-21-20-15(3)22(19)17-7-5-4-6-8-17/h9-11,17H,4-8,12H2,1-3H3