2-[[2-(4-bromophenyl)-1,3-selenazol-4-yl]methylsulfanyl]benzoic acid

Systemtic Name: 2-[[2-(4-bromophenyl)-1,3-selenazol-4-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[[2-(4-bromophenyl)-1,3-selenazol-4-yl]methylsulfanyl]benzoic acid CAS Name: 2-[[2-(4-bromophenyl)-4-selenazolyl]methylthio]benzoic acid IUPAC Name: 2-[[2-(4-bromophenyl)-1,3-selenazol-4-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[[2-(4-bromophenyl)selenazol-4-yl]methylthio]benzoic acid Formula: C17H12BrNO2SSe MolecularWeight: 453.21168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=C[Se]C(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=C[Se]C(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H12BrNO2SSe/c18-12-7-5-11(6-8-12)16-19-13(10-23-16)9-22-15-4-2-1-3-14(15)17(20)21/h1-8,10H,9H2,(H,20,21)