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

Systemtic Name: 3-(4-bromophenyl)-5-(indol-3-ylidenemethyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 3-(4-bromophenyl)-5-(indol-3-ylidenemethyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 3-(4-bromophenyl)-5-(3-indolylidenemethyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 3-(4-bromophenyl)-5-(indol-3-ylidenemethyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 3-(4-bromophenyl)-5-(indol-3-ylidenemethyl)-6-keto-2-thioxo-pyrimidin-4-olate Formula: C19H11BrN3O2S- MolecularWeight: 425.27854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=C(N(C(=S)NC3=O)C4=CC=C(C=C4)Br)[O-])C=N2

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC3=C(N(C(=S)NC3=O)C4=CC=C(C=C4)Br)[O-])C=N2

InChI

InChI=1S/C19H12BrN3O2S/c20-12-5-7-13(8-6-12)23-18(25)15(17(24)22-19(23)26)9-11-10-21-16-4-2-1-3-14(11)16/h1-10,25H,(H,22,24,26)/p-1