4-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 4-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 4-(4-pyridylmethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 4-(pyridin-4-ylmethylthio)-3-pyridinecarboxylic acid IUPAC Name: 4-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 4-(4-pyridylmethylthio)nicotinic acid Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CSC2=C(C=NC=C2)C(=O)O

Isomeric SMILES

C1=CN=CC=C1CSC2=C(C=NC=C2)C(=O)O

InChI

InChI=1S/C12H10N2O2S/c15-12(16)10-7-14-6-3-11(10)17-8-9-1-4-13-5-2-9/h1-7H,8H2,(H,15,16)