isothiocyanato-(4-methylphenyl)methanone

Systemtic Name: isothiocyanato-(4-methylphenyl)methanone Openeye Name: 4-methylbenzoyl isothiocyanate CAS Name: isothiocyanato-(4-methylphenyl)methanone IUPAC Name: 4-methylbenzoyl isothiocyanate Traditional Name: isothiocyanato(p-tolyl)methanone Formula: C9H7NOS MolecularWeight: 177.22298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N=C=S

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N=C=S

InChI

InChI=1S/C9H7NOS/c1-7-2-4-8(5-3-7)9(11)10-6-12/h2-5H,1H3