2-isothiocyanato-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene

Systemtic Name: 2-isothiocyanato-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene Openeye Name: 2-isothiocyanato-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene CAS Name: 2-isothiocyanato-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene IUPAC Name: 2-isothiocyanato-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene Traditional Name: 2-isothiocyanato-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene Formula: C16H12F3NOS MolecularWeight: 323.33279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N=C=S)C)OC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC(=C1N=C=S)C)OC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H12F3NOS/c1-10-7-14(8-11(2)15(10)20-9-22)21-13-5-3-12(4-6-13)16(17,18)19/h3-8H,1-2H3