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

Systemtic Name: 1-(4-cyclohexylphenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-cyclohexylphenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-cyclohexylphenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-cyclohexylphenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-cyclohexylphenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C23H25N3OS/c1-17-24-25-23(26(17)21-10-6-3-7-11-21)28-16-22(27)20-14-12-19(13-15-20)18-8-4-2-5-9-18/h3,6-7,10-15,18H,2,4-5,8-9,16H2,1H3