4-(4-methylphenyl)carbonyl-1-phenyl-5-sulfanyl-pyrrole-2,3-dione

Systemtic Name: 4-(4-methylphenyl)carbonyl-1-phenyl-5-sulfanyl-pyrrole-2,3-dione Openeye Name: 4-(4-methylbenzoyl)-1-phenyl-5-sulfanyl-pyrrole-2,3-dione CAS Name: 5-mercapto-4-[(4-methylphenyl)-oxomethyl]-1-phenylpyrrole-2,3-dione IUPAC Name: 4-(4-methylbenzoyl)-1-phenyl-5-sulfanylpyrrole-2,3-dione Traditional Name: 5-mercapto-1-phenyl-4-p-toluoyl-2-pyrroline-2,3-quinone Formula: C18H13NO3S MolecularWeight: 323.36572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(N(C(=O)C2=O)C3=CC=CC=C3)S

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(N(C(=O)C2=O)C3=CC=CC=C3)S

InChI

InChI=1S/C18H13NO3S/c1-11-7-9-12(10-8-11)15(20)14-16(21)17(22)19(18(14)23)13-5-3-2-4-6-13/h2-10,23H,1H3