4-methyl-2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-4H-pyrazol-3-one

Systemtic Name: 4-methyl-2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-4H-pyrazol-3-one Openeye Name: 4-methyl-2-(4-methylsulfanylphenyl)-5-(3-pyridyl)-4H-pyrazol-3-one CAS Name: 4-methyl-2-[4-(methylthio)phenyl]-5-(3-pyridinyl)-4H-pyrazol-3-one IUPAC Name: 4-methyl-2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-4H-pyrazol-3-one Traditional Name: 4-methyl-2-[4-(methylthio)phenyl]-5-(3-pyridyl)-2-pyrazolin-3-one Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NN(C1=O)C2=CC=C(C=C2)SC)C3=CN=CC=C3

Isomeric SMILES

CC1C(=NN(C1=O)C2=CC=C(C=C2)SC)C3=CN=CC=C3

InChI

InChI=1S/C16H15N3OS/c1-11-15(12-4-3-9-17-10-12)18-19(16(11)20)13-5-7-14(21-2)8-6-13/h3-11H,1-2H3