N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide Formula: C17H10F6N4O3S MolecularWeight: 464.341719

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H10F6N4O3S/c18-16(19,20)8-3-9(17(21,22)23)5-10(4-8)24-14(28)7-31-15-25-12-2-1-11(27(29)30)6-13(12)26-15/h1-6H,7H2,(H,24,28)(H,25,26)