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

Systemtic Name: 4-[5-[[1-(4-bromophenyl)pyrrol-2-yl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 4-[5-[[1-(4-bromophenyl)pyrrol-2-yl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 4-[5-[[1-(4-bromophenyl)-2-pyrrolyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 4-[5-[[1-(4-bromophenyl)pyrrol-2-yl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 4-[5-[[1-(4-bromophenyl)pyrrol-2-yl]methylene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C22H14BrN3O4S MolecularWeight: 496.33326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CN(C(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H14BrN3O4S/c23-14-5-9-15(10-6-14)25-11-1-2-17(25)12-18-19(27)24-22(31)26(20(18)28)16-7-3-13(4-8-16)21(29)30/h1-12H,(H,29,30)(H,24,27,31)