N-aminocarbonyl-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-aminocarbonyl-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-carbamoyl-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-carbamoyl-2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]-2-benzimidazolyl]thio]acetamide IUPAC Name: N-carbamoyl-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-carbamoyl-2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]thio]acetamide Formula: C17H12F3N5O4S MolecularWeight: 439.36849

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NC(=O)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NC(=O)N)C(F)(F)F

InChI

InChI=1S/C17H12F3N5O4S/c18-17(19,20)9-2-1-3-10(6-9)24-13-5-4-11(25(28)29)7-12(13)22-16(24)30-8-14(26)23-15(21)27/h1-7H,8H2,(H3,21,23,26,27)