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

Systemtic Name: 2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(1-butyl-5-tetrazolyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(1-butyltetrazol-5-yl)methylthio]nicotinic acid Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C12H15N5O2S/c1-2-3-7-17-10(14-15-16-17)8-20-11-9(12(18)19)5-4-6-13-11/h4-6H,2-3,7-8H2,1H3,(H,18,19)