3-chloranyl-4-isothiocyanato-5-methyl-benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-isothiocyanato-5-methyl-benzenecarbonitrile Openeye Name: 3-chloro-4-isothiocyanato-5-methyl-benzonitrile CAS Name: 3-chloro-4-isothiocyanato-5-methylbenzonitrile IUPAC Name: 3-chloro-4-isothiocyanato-5-methylbenzonitrile Traditional Name: 3-chloro-4-isothiocyanato-5-methyl-benzonitrile Formula: C9H5ClN2S MolecularWeight: 208.6674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C#N)Cl)N=C=S

Isomeric SMILES

CC1=C(C(=CC(=C1)C#N)Cl)N=C=S

InChI

InChI=1S/C9H5ClN2S/c1-6-2-7(4-11)3-8(10)9(6)12-5-13/h2-3H,1H3