(3-fluoranyl-4-methyl-phenyl)-isothiocyanato-methanone

Systemtic Name: (3-fluoranyl-4-methyl-phenyl)-isothiocyanato-methanone Openeye Name: 3-fluoro-4-methyl-benzoyl isothiocyanate CAS Name: (3-fluoro-4-methylphenyl)-isothiocyanatomethanone IUPAC Name: 3-fluoro-4-methylbenzoyl isothiocyanate Traditional Name: (3-fluoro-4-methyl-phenyl)-isothiocyanato-methanone Formula: C9H6FNOS MolecularWeight: 195.213443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6FNOS/c1-6-2-3-7(4-8(6)10)9(12)11-5-13/h2-4H,1H3