5-methyl-4-(2-methylsulfanylpyridin-3-yl)carbonyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-(2-methylsulfanylpyridin-3-yl)carbonyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-methyl-4-(2-methylsulfanylpyridine-3-carbonyl)-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-(2-methylsulfanylpyridine-3-carbonyl)-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-methyl-4-[2-(methylthio)nicotinoyl]-2-phenyl-3-pyrazolin-3-one Formula: C17H15N3O2S MolecularWeight: 325.3849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C17H15N3O2S/c1-11-14(15(21)13-9-6-10-18-16(13)23-2)17(22)20(19-11)12-7-4-3-5-8-12/h3-10,19H,1-2H3