2-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)sulfanyl]isoindole-1,3-dione

Systemtic Name: 2-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)sulfanyl]isoindole-1,3-dione Openeye Name: 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)sulfanyl]isoindoline-1,3-dione CAS Name: 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)thio]isoindole-1,3-dione IUPAC Name: 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)sulfanyl]isoindole-1,3-dione Traditional Name: 2-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)thio]isoindoline-1,3-quinone Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H13N3O3S/c1-11-15(18(24)20(19-11)12-7-3-2-4-8-12)25-21-16(22)13-9-5-6-10-14(13)17(21)23/h2-10,19H,1H3