5-butyl-4-methyl-2-phenyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid

Systemtic Name: 5-butyl-4-methyl-2-phenyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid Openeye Name: 5-butyl-4-methyl-2-phenyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid CAS Name: 5-butyl-4-methyl-2-phenyl-6-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid IUPAC Name: 5-butyl-4-methyl-2-phenyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid Traditional Name: 5-butyl-4-methyl-2-phenyl-6-(1,2,4-triazol-1-yl)nicotinic acid Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(C(=C1C)C(=O)O)C2=CC=CC=C2)N3C=NC=N3

Isomeric SMILES

CCCCC1=C(N=C(C(=C1C)C(=O)O)C2=CC=CC=C2)N3C=NC=N3

InChI

InChI=1S/C19H20N4O2/c1-3-4-10-15-13(2)16(19(24)25)17(14-8-6-5-7-9-14)22-18(15)23-12-20-11-21-23/h5-9,11-12H,3-4,10H2,1-2H3,(H,24,25)