(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethanoic acid

Systemtic Name: (3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethanoic acid Openeye Name: (3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylformic acid CAS Name: [(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]formic acid IUPAC Name: (3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylformic acid Traditional Name: [(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]formic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N=C(C(=C2)C#N)SC(=O)O

Isomeric SMILES

C1CCC2=C(CC1)N=C(C(=C2)C#N)SC(=O)O

InChI

InChI=1S/C12H12N2O2S/c13-7-9-6-8-4-2-1-3-5-10(8)14-11(9)17-12(15)16/h6H,1-5H2,(H,15,16)