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

Systemtic Name: 4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-2-[(4-pyridin-3-ylphenyl)-sulfanyl-methyl]butanoic acid Openeye Name: 4-(4-oxo-1,2,3-benzotriazin-3-yl)-2-[[4-(3-pyridyl)phenyl]-sulfanyl-methyl]butanoic acid CAS Name: 2-[mercapto-[4-(3-pyridinyl)phenyl]methyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoic acid IUPAC Name: 4-(4-oxo-1,2,3-benzotriazin-3-yl)-2-[(4-pyridin-3-ylphenyl)-sulfanylmethyl]butanoic acid Traditional Name: 4-(4-keto-1,2,3-benzotriazin-3-yl)-2-[mercapto-[4-(3-pyridyl)phenyl]methyl]butyric acid Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(C(C3=CC=C(C=C3)C4=CN=CC=C4)S)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(C(C3=CC=C(C=C3)C4=CN=CC=C4)S)C(=O)O

InChI

InChI=1S/C23H20N4O3S/c28-22-18-5-1-2-6-20(18)25-26-27(22)13-11-19(23(29)30)21(31)16-9-7-15(8-10-16)17-4-3-12-24-14-17/h1-10,12,14,19,21,31H,11,13H2,(H,29,30)