2-(4-bromophenyl)sulfanyl-5-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]cyclopentane-1-carboxylic acid

Systemtic Name: 2-(4-bromophenyl)sulfanyl-5-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]cyclopentane-1-carboxylic acid Openeye Name: 2-(4-bromophenyl)sulfanyl-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclopentanecarboxylic acid CAS Name: 2-[(4-bromophenyl)thio]-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-(4-bromophenyl)sulfanyl-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclopentane-1-carboxylic acid Traditional Name: 2-[(4-bromophenyl)thio]-5-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]cyclopentanecarboxylic acid Formula: C20H18BrN3O3S MolecularWeight: 460.34422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)O)SC4=CC=C(C=C4)Br

Isomeric SMILES

C1CC(C(C1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)O)SC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H18BrN3O3S/c21-13-6-8-14(9-7-13)28-17-10-5-12(18(17)20(26)27)11-24-19(25)15-3-1-2-4-16(15)22-23-24/h1-4,6-9,12,17-18H,5,10-11H2,(H,26,27)