5-methyl-4-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(4-methylsulfanylphenyl)methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-methyl-4-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(4-methylsulfanylphenyl)methyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(4-methylsulfanylphenyl)methyl]-1,2-dihydropyrazol-3-one CAS Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-[4-(methylthio)phenyl]methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(4-methylsulfanylphenyl)methyl]-1,2-dihydropyrazol-3-one Traditional Name: 4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-[4-(methylthio)phenyl]methyl]-5-methyl-3-pyrazolin-3-one Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)SC)C3=C(NNC3=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)SC)C3=C(NNC3=O)C

InChI

InChI=1S/C16H18N4O2S/c1-8-12(15(21)19-17-8)14(13-9(2)18-20-16(13)22)10-4-6-11(23-3)7-5-10/h4-7,14H,1-3H3,(H2,17,19,21)(H2,18,20,22)