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

Systemtic Name: 3-[2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid Formula: C16H11N3O4S MolecularWeight: 341.34124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=CC=C2C=C3C(=O)NC(=S)NC3=O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C=CC=C2C=C3C(=O)NC(=S)NC3=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)