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

Systemtic Name: isothiocyanato-(3-methoxy-4-methyl-phenyl)methanone Openeye Name: 3-methoxy-4-methyl-benzoyl isothiocyanate CAS Name: isothiocyanato-(3-methoxy-4-methylphenyl)methanone IUPAC Name: 3-methoxy-4-methylbenzoyl isothiocyanate Traditional Name: isothiocyanato-(3-methoxy-4-methyl-phenyl)methanone Formula: C10H9NO2S MolecularWeight: 207.24896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO2S/c1-7-3-4-8(5-9(7)13-2)10(12)11-6-14/h3-5H,1-2H3