(3E)-1-methyl-3-[[methyl(phenyl)amino]-sulfanyl-methylidene]-6-pyrrol-1-yl-quinoline-2,4-dione

Systemtic Name: (3E)-1-methyl-3-[[methyl(phenyl)amino]-sulfanyl-methylidene]-6-pyrrol-1-yl-quinoline-2,4-dione Openeye Name: (3E)-1-methyl-3-[(N-methylanilino)-sulfanyl-methylene]-6-pyrrol-1-yl-quinoline-2,4-dione CAS Name: (3E)-3-[mercapto-(N-methylanilino)methylidene]-1-methyl-6-(1-pyrrolyl)quinoline-2,4-dione IUPAC Name: (3E)-1-methyl-3-[(N-methylanilino)-sulfanylmethylidene]-6-pyrrol-1-ylquinoline-2,4-dione Traditional Name: (3E)-3-[mercapto-(N-methylanilino)methylene]-1-methyl-6-pyrrol-1-yl-quinoline-2,4-quinone Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N3C=CC=C3)C(=O)C(=C(N(C)C4=CC=CC=C4)S)C1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)N3C=CC=C3)C(=O)/C(=C(/N(C)C4=CC=CC=C4)\S)/C1=O

InChI

InChI=1S/C22H19N3O2S/c1-23(15-8-4-3-5-9-15)22(28)19-20(26)17-14-16(25-12-6-7-13-25)10-11-18(17)24(2)21(19)27/h3-14,28H,1-2H3/b22-19+