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

Systemtic Name: 1-(4-cyclohexylphenyl)-2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-cyclohexylphenyl)-2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-cyclohexylphenyl)-2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-cyclohexylphenyl)-2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-cyclohexylphenyl)-2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C29H30N4OS MolecularWeight: 482.6397

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)C4CCCCC4)C5=CC=NC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)C4CCCCC4)C5=CC=NC=C5

InChI

InChI=1S/C29H30N4OS/c1-2-21-8-14-26(15-9-21)33-28(25-16-18-30-19-17-25)31-32-29(33)35-20-27(34)24-12-10-23(11-13-24)22-6-4-3-5-7-22/h8-19,22H,2-7,20H2,1H3