2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]nicotinic acid Formula: C17H13FN4O2S MolecularWeight: 356.374123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SC3=C(C=CC=N3)C(=O)O)C4=CC=CC=C4F

Isomeric SMILES

C1CC1N2C(=NN=C2SC3=C(C=CC=N3)C(=O)O)C4=CC=CC=C4F

InChI

InChI=1S/C17H13FN4O2S/c18-13-6-2-1-4-11(13)14-20-21-17(22(14)10-7-8-10)25-15-12(16(23)24)5-3-9-19-15/h1-6,9-10H,7-8H2,(H,23,24)