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

Systemtic Name: 1-(4-cyclohexylphenyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-cyclohexylphenyl)-2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-cyclohexylphenyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-cyclohexylphenyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-cyclohexylphenyl)-2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C29H29N3OS MolecularWeight: 467.62506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C29H29N3OS/c1-21-9-8-12-25(19-21)28-30-31-29(32(28)26-13-6-3-7-14-26)34-20-27(33)24-17-15-23(16-18-24)22-10-4-2-5-11-22/h3,6-9,12-19,22H,2,4-5,10-11,20H2,1H3