N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-nitro-4-(trifluoromethyl)aniline Traditional Name: [1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C18H17F3N4O2S MolecularWeight: 410.41339

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17F3N4O2S/c1-28-9-8-15(17-23-12-4-2-3-5-13(12)24-17)22-14-7-6-11(18(19,20)21)10-16(14)25(26)27/h2-7,10,15,22H,8-9H2,1H3,(H,23,24)