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

Systemtic Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone Openeye Name: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone CAS Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]-1-(2,4,6-trimethylphenyl)ethanone IUPAC Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone Traditional Name: 1-mesityl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3)C

InChI

InChI=1S/C18H18N4OS/c1-11-8-12(2)16(13(3)9-11)15(23)10-24-18-20-17(21-22-18)14-4-6-19-7-5-14/h4-9H,10H2,1-3H3,(H,20,21,22)