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

Systemtic Name: 1-(4-cyclohexylphenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-cyclohexylphenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-cyclohexylphenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-cyclohexylphenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-cyclohexylphenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C28H27N3OS MolecularWeight: 453.59848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3OS/c32-26(23-18-16-22(17-19-23)21-10-4-1-5-11-21)20-33-28-30-29-27(24-12-6-2-7-13-24)31(28)25-14-8-3-9-15-25/h2-3,6-9,12-19,21H,1,4-5,10-11,20H2