4-chloranyl-2-isothiocyanato-benzenecarbonitrile

Systemtic Name: 4-chloranyl-2-isothiocyanato-benzenecarbonitrile Openeye Name: 4-chloro-2-isothiocyanato-benzonitrile CAS Name: 4-chloro-2-isothiocyanatobenzonitrile IUPAC Name: 4-chloro-2-isothiocyanatobenzonitrile Traditional Name: 4-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)N=C=S)C#N

Isomeric SMILES

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

InChI

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