2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)propan-1-one

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)propan-1-one Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)propan-1-one CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethylphenyl)-1-propanone IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)propan-1-one Traditional Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethylphenyl)propan-1-one Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3CCCCC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3CCCCC3)C)C

InChI

InChI=1S/C20H27N3OS/c1-13-10-11-17(12-14(13)2)19(24)15(3)25-20-22-21-16(4)23(20)18-8-6-5-7-9-18/h10-12,15,18H,5-9H2,1-4H3