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

Systemtic Name: 1-(4-cyclohexylphenyl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-cyclohexylphenyl)ethanone CAS Name: 1-(4-cyclohexylphenyl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-cyclohexylphenyl)ethanone Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-cyclohexylphenyl)ethanone Formula: C28H28N4OS MolecularWeight: 468.61312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C28H28N4OS/c33-26(24-13-11-23(12-14-24)22-9-5-2-6-10-22)20-34-28-31-30-27(25-15-17-29-18-16-25)32(28)19-21-7-3-1-4-8-21/h1,3-4,7-8,11-18,22H,2,5-6,9-10,19-20H2