3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-4,4,4-tris(fluoranyl)butan-1-amine

Systemtic Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-4,4,4-tris(fluoranyl)butan-1-amine Openeye Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-4,4,4-trifluoro-butan-1-amine CAS Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-4,4,4-trifluoro-1-butanamine IUPAC Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-4,4,4-trifluorobutan-1-amine Traditional Name: [3-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-4,4,4-trifluoro-butyl]amine Formula: C13H16F3N3OS MolecularWeight: 319.34585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SC(CCN)C(F)(F)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SC(CCN)C(F)(F)F

InChI

InChI=1S/C13H16F3N3OS/c1-2-20-8-3-4-9-10(7-8)19-12(18-9)21-11(5-6-17)13(14,15)16/h3-4,7,11H,2,5-6,17H2,1H3,(H,18,19)