2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]nicotinate Formula: C14H9BrNO3S- MolecularWeight: 351.19516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)C2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)C2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C14H10BrNO3S/c15-10-5-3-9(4-6-10)12(17)8-20-13-11(14(18)19)2-1-7-16-13/h1-7H,8H2,(H,18,19)/p-1