5-cyano-2,6-dimethyl-4-[3-(1,2,4-triazol-1-yl)phenyl]pyridine-3-carboxylic acid

Systemtic Name: 5-cyano-2,6-dimethyl-4-[3-(1,2,4-triazol-1-yl)phenyl]pyridine-3-carboxylic acid Openeye Name: 5-cyano-2,6-dimethyl-4-[3-(1,2,4-triazol-1-yl)phenyl]pyridine-3-carboxylic acid CAS Name: 5-cyano-2,6-dimethyl-4-[3-(1,2,4-triazol-1-yl)phenyl]-3-pyridinecarboxylic acid IUPAC Name: 5-cyano-2,6-dimethyl-4-[3-(1,2,4-triazol-1-yl)phenyl]pyridine-3-carboxylic acid Traditional Name: 5-cyano-2,6-dimethyl-4-[3-(1,2,4-triazol-1-yl)phenyl]nicotinic acid Formula: C17H13N5O2 MolecularWeight: 319.31742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C#N)C2=CC(=CC=C2)N3C=NC=N3)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C#N)C2=CC(=CC=C2)N3C=NC=N3)C(=O)O

InChI

InChI=1S/C17H13N5O2/c1-10-14(7-18)16(15(17(23)24)11(2)21-10)12-4-3-5-13(6-12)22-9-19-8-20-22/h3-6,8-9H,1-2H3,(H,23,24)