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

Systemtic Name: 4-(2-ethylsulfanylpyridin-3-yl)carbonyl-5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: 4-(2-ethylsulfanylpyridine-3-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: 4-[[2-(ethylthio)-3-pyridinyl]-oxomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: 4-(2-ethylsulfanylpyridine-3-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: 4-[2-(ethylthio)nicotinoyl]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)C2C(=NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)C2C(=NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H17N3O2S/c1-3-24-17-14(10-7-11-19-17)16(22)15-12(2)20-21(18(15)23)13-8-5-4-6-9-13/h4-11,15H,3H2,1-2H3