1-[1-(isothiocyanatomethyl)cyclopentyl]-4-(trifluoromethyl)benzene

Systemtic Name: 1-[1-(isothiocyanatomethyl)cyclopentyl]-4-(trifluoromethyl)benzene Openeye Name: 1-[1-(isothiocyanatomethyl)cyclopentyl]-4-(trifluoromethyl)benzene CAS Name: 1-[1-(isothiocyanatomethyl)cyclopentyl]-4-(trifluoromethyl)benzene IUPAC Name: 1-[1-(isothiocyanatomethyl)cyclopentyl]-4-(trifluoromethyl)benzene Traditional Name: 1-[1-(isothiocyanatomethyl)cyclopentyl]-4-(trifluoromethyl)benzene Formula: C14H14F3NS MolecularWeight: 285.32787

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CN=C=S)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CCC(C1)(CN=C=S)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H14F3NS/c15-14(16,17)12-5-3-11(4-6-12)13(9-18-10-19)7-1-2-8-13/h3-6H,1-2,7-9H2