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

Systemtic Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(p-tolyl)ethanone CAS Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(p-tolyl)ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c1-17-12-14-18(15-13-17)21(27)16-28-23-25-24-22(19-8-4-2-5-9-19)26(23)20-10-6-3-7-11-20/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3