(4-isothiocyanato-3-methyl-phenyl) thiocyanate

Systemtic Name: (4-isothiocyanato-3-methyl-phenyl) thiocyanate Openeye Name: (4-isothiocyanato-3-methyl-phenyl) thiocyanate CAS Name: thiocyanic acid (4-isothiocyanato-3-methylphenyl) ester IUPAC Name: (4-isothiocyanato-3-methylphenyl) thiocyanate Traditional Name: thiocyanic acid (4-isothiocyanato-3-methyl-phenyl) ester Formula: C9H6N2S2 MolecularWeight: 206.28734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2S2/c1-7-4-8(13-5-10)2-3-9(7)11-6-12/h2-4H,1H3