7-[(4-bromanyl-2-chloranyl-phenyl)amino]-8-chloranyl-3-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

Systemtic Name: 7-[(4-bromanyl-2-chloranyl-phenyl)amino]-8-chloranyl-3-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid Openeye Name: 3-benzyl-7-(4-bromo-2-chloro-anilino)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid CAS Name: 7-(4-bromo-2-chloroanilino)-8-chloro-3-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid IUPAC Name: 3-benzyl-7-(4-bromo-2-chloroanilino)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid Traditional Name: 3-benzyl-7-(4-bromo-2-chloro-anilino)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid Formula: C20H13BrCl2N4O2 MolecularWeight: 492.15282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C3N2C=C(C(=C3Cl)NC4=C(C=C(C=C4)Br)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C3N2C=C(C(=C3Cl)NC4=C(C=C(C=C4)Br)Cl)C(=O)O

InChI

InChI=1S/C20H13BrCl2N4O2/c21-12-6-7-15(14(22)9-12)24-18-13(20(28)29)10-27-16(25-26-19(27)17(18)23)8-11-4-2-1-3-5-11/h1-7,9-10,24H,8H2,(H,28,29)