2-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinic acid Formula: C16H11BrN2O4S MolecularWeight: 407.23854

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)SC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C16H11BrN2O4S/c17-9-3-5-10(6-4-9)19-13(20)8-12(15(19)21)24-14-11(16(22)23)2-1-7-18-14/h1-7,12H,8H2,(H,22,23)