1-isothiocyanato-3,5-bis(trifluoromethyl)benzene

Systemtic Name: 1-isothiocyanato-3,5-bis(trifluoromethyl)benzene Openeye Name: 1-isothiocyanato-3,5-bis(trifluoromethyl)benzene CAS Name: 1-isothiocyanato-3,5-bis(trifluoromethyl)benzene IUPAC Name: 1-isothiocyanato-3,5-bis(trifluoromethyl)benzene Traditional Name: 1-isothiocyanato-3,5-bis(trifluoromethyl)benzene Formula: C9H3F6NS MolecularWeight: 271.182239

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)N=C=S)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)N=C=S)C(F)(F)F

InChI

InChI=1S/C9H3F6NS/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H