5-chloranyl-2-isothiocyanato-benzenecarbonitrile

Systemtic Name: 5-chloranyl-2-isothiocyanato-benzenecarbonitrile Openeye Name: 5-chloro-2-isothiocyanato-benzonitrile CAS Name: 5-chloro-2-isothiocyanatobenzonitrile IUPAC Name: 5-chloro-2-isothiocyanatobenzonitrile Traditional Name: 5-chloro-2-isothiocyanato-benzonitrile Formula: C8H3ClN2S MolecularWeight: 194.64082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C#N)N=C=S

Isomeric SMILES

C1=CC(=C(C=C1Cl)C#N)N=C=S

InChI

InChI=1S/C8H3ClN2S/c9-7-1-2-8(11-5-12)6(3-7)4-10/h1-3H