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

Systemtic Name: 5-(indol-3-ylidenemethyl)-3-(4-methylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-(indol-3-ylidenemethyl)-6-oxo-3-(p-tolyl)-2-thioxo-pyrimidin-4-olate CAS Name: 5-(3-indolylidenemethyl)-3-(4-methylphenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-(indol-3-ylidenemethyl)-3-(4-methylphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-(indol-3-ylidenemethyl)-6-keto-3-(p-tolyl)-2-thioxo-pyrimidin-4-olate Formula: C20H14N3O2S- MolecularWeight: 360.40906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C=C3C=NC4=CC=CC=C43)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C=C3C=NC4=CC=CC=C43)[O-]

InChI

InChI=1S/C20H15N3O2S/c1-12-6-8-14(9-7-12)23-19(25)16(18(24)22-20(23)26)10-13-11-21-17-5-3-2-4-15(13)17/h2-11,25H,1H3,(H,22,24,26)/p-1