S-(cyanomethyl) 4-chloranylbenzenecarbothioate

Systemtic Name: S-(cyanomethyl) 4-chloranylbenzenecarbothioate Openeye Name: S-(cyanomethyl) 4-chlorobenzenecarbothioate CAS Name: 4-chlorobenzenecarbothioic acid S-(cyanomethyl) ester IUPAC Name: S-(cyanomethyl) 4-chlorobenzenecarbothioate Traditional Name: 4-chlorothiobenzoic acid S-(cyanomethyl) ester Formula: C9H6ClNOS MolecularWeight: 211.66804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)SCC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)SCC#N)Cl

InChI

InChI=1S/C9H6ClNOS/c10-8-3-1-7(2-4-8)9(12)13-6-5-11/h1-4H,6H2