3-(3-methylphenyl)-6-oxidanylidene-5-(pyrrol-2-ylidenemethyl)-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 3-(3-methylphenyl)-6-oxidanylidene-5-(pyrrol-2-ylidenemethyl)-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 3-(m-tolyl)-6-oxo-5-(pyrrol-2-ylidenemethyl)-2-thioxo-pyrimidin-4-olate CAS Name: 3-(3-methylphenyl)-6-oxo-5-(2-pyrrolylidenemethyl)-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 3-(3-methylphenyl)-6-oxo-5-(pyrrol-2-ylidenemethyl)-2-sulfanylidenepyrimidin-4-olate Traditional Name: 6-keto-3-(m-tolyl)-5-(pyrrol-2-ylidenemethyl)-2-thioxo-pyrimidin-4-olate Formula: C16H12N3O2S- MolecularWeight: 310.35038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C(=O)NC2=S)C=C3C=CC=N3)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C(=O)NC2=S)C=C3C=CC=N3)[O-]

InChI

InChI=1S/C16H13N3O2S/c1-10-4-2-6-12(8-10)19-15(21)13(14(20)18-16(19)22)9-11-5-3-7-17-11/h2-9,21H,1H3,(H,18,20,22)/p-1