2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone

Systemtic Name: 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone Openeye Name: 2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone CAS Name: 2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(2,4,6-trimethylphenyl)ethanone IUPAC Name: 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone Traditional Name: 1-mesityl-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NN=C(N2C)C3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NN=C(N2C)C3=CN=CC=C3)C

InChI

InChI=1S/C19H20N4OS/c1-12-8-13(2)17(14(3)9-12)16(24)11-25-19-22-21-18(23(19)4)15-6-5-7-20-10-15/h5-10H,11H2,1-4H3