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

Systemtic Name: 1-(4-cyclohexylphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-cyclohexylphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-cyclohexylphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-cyclohexylphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-cyclohexylphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN=C2SCC(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCC(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C23H25N3O2S/c1-28-21-9-5-8-20(14-21)26-16-24-25-23(26)29-15-22(27)19-12-10-18(11-13-19)17-6-3-2-4-7-17/h5,8-14,16-17H,2-4,6-7,15H2,1H3