2-(3,4-dimethylphenyl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one

Systemtic Name: 2-(3,4-dimethylphenyl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one Openeye Name: 2-(3,4-dimethylphenyl)-5-(2-pyridylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 2-(3,4-dimethylphenyl)-5-[(2-pyridinylthio)methyl]-1H-pyrazol-3-one IUPAC Name: 2-(3,4-dimethylphenyl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one Traditional Name: 2-(3,4-dimethylphenyl)-5-[(2-pyridylthio)methyl]-3-pyrazolin-3-one Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=C(N2)CSC3=CC=CC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=C(N2)CSC3=CC=CC=N3)C

InChI

InChI=1S/C17H17N3OS/c1-12-6-7-15(9-13(12)2)20-17(21)10-14(19-20)11-22-16-5-3-4-8-18-16/h3-10,19H,11H2,1-2H3