S-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)methyl] benzenecarbothioate

Systemtic Name: S-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)methyl] benzenecarbothioate Openeye Name: S-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)methyl] ester IUPAC Name: S-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(3-cyano-1-pyrindan-2-yl)methyl] ester Formula: C17H14N2OS MolecularWeight: 294.37086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(C(=C2)C#N)CSC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC2=C(C1)N=C(C(=C2)C#N)CSC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H14N2OS/c18-10-14-9-13-7-4-8-15(13)19-16(14)11-21-17(20)12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,11H2