1-isothiocyanato-2-(4-methylphenyl)ethanone

Systemtic Name: 1-isothiocyanato-2-(4-methylphenyl)ethanone Openeye Name: 2-(p-tolyl)acetyl isothiocyanate CAS Name: 1-isothiocyanato-2-(4-methylphenyl)ethanone IUPAC Name: 2-(4-methylphenyl)acetyl isothiocyanate Traditional Name: 1-isothiocyanato-2-(p-tolyl)ethanone Formula: C10H9NOS MolecularWeight: 191.24956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NOS/c1-8-2-4-9(5-3-8)6-10(12)11-7-13/h2-5H,6H2,1H3