2-(3,4-dimethylphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one

Systemtic Name: 2-(3,4-dimethylphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(3,4-dimethylphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one CAS Name: 2-(3,4-dimethylphenyl)-5-[[(1-methyl-2-imidazolyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(3,4-dimethylphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(3,4-dimethylphenyl)-5-[[(1-methylimidazol-2-yl)thio]methyl]-3-pyrazolin-3-one Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=C(N2)CSC3=NC=CN3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=C(N2)CSC3=NC=CN3C)C

InChI

InChI=1S/C16H18N4OS/c1-11-4-5-14(8-12(11)2)20-15(21)9-13(18-20)10-22-16-17-6-7-19(16)3/h4-9,18H,10H2,1-3H3