(5E)-5-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[[2,5-dimethyl-1-(m-tolyl)pyrrol-3-yl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[[2,5-dimethyl-1-(3-methylphenyl)-3-pyrrolyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-[[2,5-dimethyl-1-(m-tolyl)pyrrol-3-yl]methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C18H16N3O2S- MolecularWeight: 338.40354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N=C3[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=C2C)/C=C\3/C(=O)NC(=S)N=C3[O-])C

InChI

InChI=1S/C18H17N3O2S/c1-10-5-4-6-14(7-10)21-11(2)8-13(12(21)3)9-15-16(22)19-18(24)20-17(15)23/h4-9H,1-3H3,(H2,19,20,22,23,24)/p-1