3-chloranyl-4-isothiocyanato-benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-isothiocyanato-benzenecarbonitrile Openeye Name: 3-chloro-4-isothiocyanato-benzonitrile CAS Name: 3-chloro-4-isothiocyanatobenzonitrile IUPAC Name: 3-chloro-4-isothiocyanatobenzonitrile Traditional Name: 3-chloro-4-isothiocyanato-benzonitrile Formula: C8H3ClN2S MolecularWeight: 194.64082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)Cl)N=C=S

Isomeric SMILES

C1=CC(=C(C=C1C#N)Cl)N=C=S

InChI

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