4-[5-(indol-3-ylidenemethyl)-6-oxidanidyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl]benzoate

Systemtic Name: 4-[5-(indol-3-ylidenemethyl)-6-oxidanidyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl]benzoate Openeye Name: 4-[5-(indol-3-ylidenemethyl)-6-oxido-4-oxo-2-thioxo-pyrimidin-1-yl]benzoate CAS Name: 4-[5-(3-indolylidenemethyl)-6-oxido-4-oxo-2-sulfanylidene-1-pyrimidinyl]benzoate IUPAC Name: 4-[5-(indol-3-ylidenemethyl)-6-oxido-4-oxo-2-sulfanylidenepyrimidin-1-yl]benzoate Traditional Name: 4-[5-(indol-3-ylidenemethyl)-4-keto-6-oxido-2-thioxo-pyrimidin-1-yl]benzoate Formula: C20H11N3O4S-2 MolecularWeight: 389.38404

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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)C(=O)[O-])[O-])C=N2

Isomeric SMILES

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

InChI

InChI=1S/C20H13N3O4S/c24-17-15(9-12-10-21-16-4-2-1-3-14(12)16)18(25)23(20(28)22-17)13-7-5-11(6-8-13)19(26)27/h1-10,25H,(H,26,27)(H,22,24,28)/p-2