1-isothiocyanato-3-(2-methylphenyl)propan-1-one

Systemtic Name: 1-isothiocyanato-3-(2-methylphenyl)propan-1-one Openeye Name: 3-(o-tolyl)propanoyl isothiocyanate CAS Name: 1-isothiocyanato-3-(2-methylphenyl)-1-propanone IUPAC Name: 3-(2-methylphenyl)propanoyl isothiocyanate Traditional Name: 1-isothiocyanato-3-(o-tolyl)propan-1-one Formula: C11H11NOS MolecularWeight: 205.27614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(=O)N=C=S

Isomeric SMILES

CC1=CC=CC=C1CCC(=O)N=C=S

InChI

InChI=1S/C11H11NOS/c1-9-4-2-3-5-10(9)6-7-11(13)12-8-14/h2-5H,6-7H2,1H3