N-[4-(4-isothiocyanatophenyl)sulfanylphenyl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[4-(4-isothiocyanatophenyl)sulfanylphenyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[4-(4-isothiocyanatophenyl)sulfanylphenyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[4-[(4-isothiocyanatophenyl)thio]phenyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[4-(4-isothiocyanatophenyl)sulfanylphenyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[4-[(4-isothiocyanatophenyl)thio]phenyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C20H13F3N2O2S3 MolecularWeight: 466.51963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)N=C=S)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)N=C=S)C(F)(F)F

InChI

InChI=1S/C20H13F3N2O2S3/c21-20(22,23)14-2-1-3-19(12-14)30(26,27)25-16-6-10-18(11-7-16)29-17-8-4-15(5-9-17)24-13-28/h1-12,25H