4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzoic acid

Systemtic Name: 4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzoic acid Openeye Name: 4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid CAS Name: 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoic acid IUPAC Name: 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoic acid Traditional Name: 4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid Formula: C12H8N2O4S MolecularWeight: 276.26792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)NC(=S)NC2=O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C=C2C(=O)NC(=S)NC2=O)C(=O)O

InChI

InChI=1S/C12H8N2O4S/c15-9-8(10(16)14-12(19)13-9)5-6-1-3-7(4-2-6)11(17)18/h1-5H,(H,17,18)(H2,13,14,15,16,19)