pyridin-3-ylmethyl N-(4-cyanophenyl)sulfanylcarbamate hydrochloride

Systemtic Name: pyridin-3-ylmethyl N-(4-cyanophenyl)sulfanylcarbamate hydrochloride Openeye Name: 3-pyridylmethyl N-(4-cyanophenyl)sulfanylcarbamate hydrochloride CAS Name: N-[(4-cyanophenyl)thio]carbamic acid 3-pyridinylmethyl ester hydrochloride IUPAC Name: pyridin-3-ylmethyl N-(4-cyanophenyl)sulfanylcarbamate hydrochloride Traditional Name: N-[(4-cyanophenyl)thio]carbamic acid 3-pyridylmethyl ester hydrochloride Formula: C14H12ClN3O2S MolecularWeight: 321.78198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)COC(=O)NSC2=CC=C(C=C2)C#N.Cl

Isomeric SMILES

C1=CC(=CN=C1)COC(=O)NSC2=CC=C(C=C2)C#N.Cl

InChI

InChI=1S/C14H11N3O2S.ClH/c15-8-11-3-5-13(6-4-11)20-17-14(18)19-10-12-2-1-7-16-9-12;/h1-7,9H,10H2,(H,17,18);1H