1-propan-2-yl-2-sulfanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-propan-2-yl-2-sulfanylidene-pyridine-3-carboxylic acid Openeye Name: 1-isopropyl-2-thioxo-pyridine-3-carboxylic acid CAS Name: 1-propan-2-yl-2-sulfanylidene-3-pyridinecarboxylic acid IUPAC Name: 1-propan-2-yl-2-sulfanylidenepyridine-3-carboxylic acid Traditional Name: 1-isopropyl-2-thioxo-nicotinic acid Formula: C9H11NO2S MolecularWeight: 197.25414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC=C(C1=S)C(=O)O

Isomeric SMILES

CC(C)N1C=CC=C(C1=S)C(=O)O

InChI

InChI=1S/C9H11NO2S/c1-6(2)10-5-3-4-7(8(10)13)9(11)12/h3-6H,1-2H3,(H,11,12)