5-(phenylcarbamothioyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

Systemtic Name: 5-(phenylcarbamothioyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid Openeye Name: 5-(phenylcarbamothioyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid CAS Name: 5-[anilino(sulfanylidene)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid IUPAC Name: 5-(phenylcarbamothioyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid Traditional Name: 5-(phenylthiocarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1N=CN2)C(=S)NC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1N=CN2)C(=S)NC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C14H14N4O2S/c19-13(20)12-6-10-11(16-8-15-10)7-18(12)14(21)17-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2,(H,15,16)(H,17,21)(H,19,20)