1-isothiocyanato-4-[4-(trifluoromethyl)phenyl]sulfanyl-benzene

Systemtic Name: 1-isothiocyanato-4-[4-(trifluoromethyl)phenyl]sulfanyl-benzene Openeye Name: 1-isothiocyanato-4-[4-(trifluoromethyl)phenyl]sulfanyl-benzene CAS Name: 1-isothiocyanato-4-[[4-(trifluoromethyl)phenyl]thio]benzene IUPAC Name: 1-isothiocyanato-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene Traditional Name: 1-isothiocyanato-4-[[4-(trifluoromethyl)phenyl]thio]benzene Formula: C14H8F3NS2 MolecularWeight: 311.34523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)SC2=CC=C(C=C2)N=C=S

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)SC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C14H8F3NS2/c15-14(16,17)10-1-5-12(6-2-10)20-13-7-3-11(4-8-13)18-9-19/h1-8H