S-quinolin-8-yl N-(cyanomethyl)carbamothioate

Systemtic Name: S-quinolin-8-yl N-(cyanomethyl)carbamothioate Openeye Name: S-(8-quinolyl) N-(cyanomethyl)carbamothioate CAS Name: N-(cyanomethyl)carbamothioic acid S-(8-quinolinyl) ester IUPAC Name: S-quinolin-8-yl N-(cyanomethyl)carbamothioate Traditional Name: N-(cyanomethyl)thiocarbamic acid S-(8-quinolyl) ester Formula: C12H9N3OS MolecularWeight: 243.28436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC(=O)NCC#N)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC(=O)NCC#N)N=CC=C2

InChI

InChI=1S/C12H9N3OS/c13-6-8-15-12(16)17-10-5-1-3-9-4-2-7-14-11(9)10/h1-5,7H,8H2,(H,15,16)