2-[(4-bromophenyl)sulfanylmethyl]-4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoic acid

Systemtic Name: 2-[(4-bromophenyl)sulfanylmethyl]-4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoic acid Openeye Name: 2-[(4-bromophenyl)sulfanylmethyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoic acid CAS Name: 2-[[(4-bromophenyl)thio]methyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoic acid IUPAC Name: 2-[(4-bromophenyl)sulfanylmethyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoic acid Traditional Name: 2-[[(4-bromophenyl)thio]methyl]-4-(4-keto-1,2,3-benzotriazin-3-yl)butyric acid Formula: C18H16BrN3O3S MolecularWeight: 434.30694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(CSC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(CSC3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C18H16BrN3O3S/c19-13-5-7-14(8-6-13)26-11-12(18(24)25)9-10-22-17(23)15-3-1-2-4-16(15)20-21-22/h1-8,12H,9-11H2,(H,24,25)