7-[(E)-hex-3-enyl]sulfanyl-4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole

Systemtic Name: 7-[(E)-hex-3-enyl]sulfanyl-4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole Openeye Name: 7-[(E)-hex-3-enyl]sulfanyl-4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole CAS Name: 7-[[(E)-hex-3-enyl]thio]-4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole IUPAC Name: 7-[(E)-hex-3-enyl]sulfanyl-4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole Traditional Name: 7-[[(E)-hex-3-enyl]thio]-4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole Formula: C15H13F6N3O2S MolecularWeight: 413.338039

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCSC1=C2C(=C(C=C1C(F)(F)F)[N+](=O)[O-])N=C(N2)C(F)(F)F

Isomeric SMILES

CC/C=C/CCSC1=C2C(=C(C=C1C(F)(F)F)[N+](=O)[O-])N=C(N2)C(F)(F)F

InChI

InChI=1S/C15H13F6N3O2S/c1-2-3-4-5-6-27-12-8(14(16,17)18)7-9(24(25)26)10-11(12)23-13(22-10)15(19,20)21/h3-4,7H,2,5-6H2,1H3,(H,22,23)/b4-3+