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

Systemtic Name: 1-(4-cyclohexylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-cyclohexylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-cyclohexylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-cyclohexylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-cyclohexylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H23N3OS MolecularWeight: 377.50252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS/c26-21(19-13-11-18(12-14-19)17-7-3-1-4-8-17)15-27-22-24-23-16-25(22)20-9-5-2-6-10-20/h2,5-6,9-14,16-17H,1,3-4,7-8,15H2