(5Z)-5-[(1-methylindol-3-yl)methylidene]-1-(2-methylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-5-[(1-methylindol-3-yl)methylidene]-1-(2-methylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-5-[(1-methylindol-3-yl)methylene]-1-(o-tolyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[(1-methyl-3-indolyl)methylidene]-1-(2-methylphenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[(1-methylindol-3-yl)methylidene]-1-(2-methylphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-6-keto-5-[(1-methylindol-3-yl)methylene]-1-(o-tolyl)-2-thioxo-pyrimidin-4-olate Formula: C21H16N3O2S- MolecularWeight: 374.43564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CC3=CN(C4=CC=CC=C43)C)C(=NC2=S)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)/C(=C\C3=CN(C4=CC=CC=C43)C)/C(=NC2=S)[O-]

InChI

InChI=1S/C21H17N3O2S/c1-13-7-3-5-9-17(13)24-20(26)16(19(25)22-21(24)27)11-14-12-23(2)18-10-6-4-8-15(14)18/h3-12H,1-2H3,(H,22,25,27)/p-1/b16-11-