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

Systemtic Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone Openeye Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone CAS Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-(2,4,5-trimethylphenyl)ethanone IUPAC Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone Traditional Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-(2,4,5-trimethylphenyl)ethanone Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4)C)C

InChI

InChI=1S/C25H29N3OS/c1-17-14-19(3)22(15-18(17)2)23(29)16-30-25-26-24(20-10-6-4-7-11-20)28(27-25)21-12-8-5-9-13-21/h5,8-9,12-15,20H,4,6-7,10-11,16H2,1-3H3