(4S)-2-(3,4-dimethylphenyl)-5-methyl-4-(methyliminomethyl)-4H-pyrazol-3-one

Systemtic Name: (4S)-2-(3,4-dimethylphenyl)-5-methyl-4-(methyliminomethyl)-4H-pyrazol-3-one Openeye Name: (4S)-2-(3,4-dimethylphenyl)-5-methyl-4-(methyliminomethyl)-4H-pyrazol-3-one CAS Name: (4S)-2-(3,4-dimethylphenyl)-5-methyl-4-(methyliminomethyl)-4H-pyrazol-3-one IUPAC Name: (4S)-2-(3,4-dimethylphenyl)-5-methyl-4-(methyliminomethyl)-4H-pyrazol-3-one Traditional Name: (4S)-2-(3,4-dimethylphenyl)-5-methyl-4-(methyliminomethyl)-2-pyrazolin-3-one Formula: C14H17N3O MolecularWeight: 243.30428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)[C@H](C(=N2)C)C=NC)C

InChI

InChI=1S/C14H17N3O/c1-9-5-6-12(7-10(9)2)17-14(18)13(8-15-4)11(3)16-17/h5-8,13H,1-4H3/t13-/m0/s1