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

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylthio]nicotinic acid Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1=NN=C(N1C)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C11H12N4O2S/c1-7-13-14-9(15(7)2)6-18-10-8(11(16)17)4-3-5-12-10/h3-5H,6H2,1-2H3,(H,16,17)