S-(1,3-benzothiazol-2-yl) 3,5-bis(trifluoromethylsulfanyl)benzenecarbothioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 3,5-bis(trifluoromethylsulfanyl)benzenecarbothioate Openeye Name: S-(1,3-benzothiazol-2-yl) 3,5-bis(trifluoromethylsulfanyl)benzenecarbothioate CAS Name: 3,5-bis(trifluoromethylthio)benzenecarbothioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 3,5-bis(trifluoromethylsulfanyl)benzenecarbothioate Traditional Name: 3,5-bis(trifluoromethylthio)thiobenzoic acid S-(1,3-benzothiazol-2-yl) ester Formula: C16H7F6NOS4 MolecularWeight: 471.483299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=O)C3=CC(=CC(=C3)SC(F)(F)F)SC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(=O)C3=CC(=CC(=C3)SC(F)(F)F)SC(F)(F)F

InChI

InChI=1S/C16H7F6NOS4/c17-15(18,19)27-9-5-8(6-10(7-9)28-16(20,21)22)13(24)26-14-23-11-3-1-2-4-12(11)25-14/h1-7H