3-bromanyl-4-isothiocyanato-5-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-isothiocyanato-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 3-bromo-4-isothiocyanato-5-(trifluoromethyl)benzonitrile CAS Name: 3-bromo-4-isothiocyanato-5-(trifluoromethyl)benzonitrile IUPAC Name: 3-bromo-4-isothiocyanato-5-(trifluoromethyl)benzonitrile Traditional Name: 3-bromo-4-isothiocyanato-5-(trifluoromethyl)benzonitrile Formula: C9H2BrF3N2S MolecularWeight: 307.08979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H2BrF3N2S/c10-7-2-5(3-14)1-6(9(11,12)13)8(7)15-4-16/h1-2H