isothiocyanato-(2,4,6-trimethylphenyl)methanone

Systemtic Name: isothiocyanato-(2,4,6-trimethylphenyl)methanone Openeye Name: 2,4,6-trimethylbenzoyl isothiocyanate CAS Name: isothiocyanato-(2,4,6-trimethylphenyl)methanone IUPAC Name: 2,4,6-trimethylbenzoyl isothiocyanate Traditional Name: isothiocyanato(mesityl)methanone Formula: C11H11NOS MolecularWeight: 205.27614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NOS/c1-7-4-8(2)10(9(3)5-7)11(13)12-6-14/h4-5H,1-3H3