S-ethyl 1-cyano-1H-isoquinoline-2-carbothioate

Systemtic Name: S-ethyl 1-cyano-1H-isoquinoline-2-carbothioate Openeye Name: S-ethyl 1-cyano-1H-isoquinoline-2-carbothioate CAS Name: 1-cyano-1H-isoquinoline-2-carbothioic acid S-ethyl ester IUPAC Name: S-ethyl 1-cyano-1H-isoquinoline-2-carbothioate Traditional Name: 1-cyano-1H-isoquinoline-2-carbothioic acid S-ethyl ester Formula: C13H12N2OS MolecularWeight: 244.31218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)N1C=CC2=CC=CC=C2C1C#N

Isomeric SMILES

CCSC(=O)N1C=CC2=CC=CC=C2C1C#N

InChI

InChI=1S/C13H12N2OS/c1-2-17-13(16)15-8-7-10-5-3-4-6-11(10)12(15)9-14/h3-8,12H,2H2,1H3