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

Systemtic Name: 2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]-5-(4-pyridin-3-ylphenyl)sulfanyl-cyclopentane-1-carboxylic acid Openeye Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-5-[4-(3-pyridyl)phenyl]sulfanyl-cyclopentanecarboxylic acid CAS Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-5-[[4-(3-pyridinyl)phenyl]thio]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-5-(4-pyridin-3-ylphenyl)sulfanylcyclopentane-1-carboxylic acid Traditional Name: 2-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]-5-[[4-(3-pyridyl)phenyl]thio]cyclopentanecarboxylic acid Formula: C25H22N4O3S MolecularWeight: 458.53218

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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)C5=CN=CC=C5

Isomeric SMILES

C1CC(C(C1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)O)SC4=CC=C(C=C4)C5=CN=CC=C5

InChI

InChI=1S/C25H22N4O3S/c30-24-20-5-1-2-6-21(20)27-28-29(24)15-18-9-12-22(23(18)25(31)32)33-19-10-7-16(8-11-19)17-4-3-13-26-14-17/h1-8,10-11,13-14,18,22-23H,9,12,15H2,(H,31,32)