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

Systemtic Name: S-(1H-benzimidazol-2-yl) 3,5-bis(trifluoromethylsulfanyl)benzenecarbothioate Openeye Name: S-(1H-benzimidazol-2-yl) 3,5-bis(trifluoromethylsulfanyl)benzenecarbothioate CAS Name: 3,5-bis(trifluoromethylthio)benzenecarbothioic acid S-(1H-benzimidazol-2-yl) ester IUPAC Name: S-(1H-benzimidazol-2-yl) 3,5-bis(trifluoromethylsulfanyl)benzenecarbothioate Traditional Name: 3,5-bis(trifluoromethylthio)thiobenzoic acid S-(1H-benzimidazol-2-yl) ester Formula: C16H8F6N2OS3 MolecularWeight: 454.432939

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC(=O)C3=CC(=CC(=C3)SC(F)(F)F)SC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC(=O)C3=CC(=CC(=C3)SC(F)(F)F)SC(F)(F)F

InChI

InChI=1S/C16H8F6N2OS3/c17-15(18,19)27-9-5-8(6-10(7-9)28-16(20,21)22)13(25)26-14-23-11-3-1-2-4-12(11)24-14/h1-7H,(H,23,24)