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

Systemtic Name: 1-(4-cyclohexylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-cyclohexylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-cyclohexylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-cyclohexylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-cyclohexylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H25N3OS MolecularWeight: 355.497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C20H25N3OS/c1-14-21-22-20(23(14)18-11-12-18)25-13-19(24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,15,18H,2-6,11-13H2,1H3