3-[2-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate

Systemtic Name: 3-[2-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Openeye Name: 3-[2-[(E)-(4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate CAS Name: 3-[2-[(E)-(4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]-1-pyrrolyl]benzoate IUPAC Name: 3-[2-[(E)-(4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Traditional Name: 3-[2-[(E)-(6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Formula: C16H9N3O4S-2 MolecularWeight: 339.32536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=CC=C2C=C3C(=O)NC(=S)N=C3[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N2C=CC=C2/C=C\3/C(=O)NC(=S)N=C3[O-])C(=O)[O-]

InChI

InChI=1S/C16H11N3O4S/c20-13-12(14(21)18-16(24)17-13)8-11-5-2-6-19(11)10-4-1-3-9(7-10)15(22)23/h1-8H,(H,22,23)(H2,17,18,20,21,24)/p-2