3-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanenitrile

Systemtic Name: 3-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanenitrile Openeye Name: 3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanenitrile CAS Name: 3-[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]propanenitrile IUPAC Name: 3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]propionitrile Formula: C18H14F3N3S MolecularWeight: 361.38407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2SCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2SCCC#N

InChI

InChI=1S/C18H14F3N3S/c19-18(20,21)14-7-8-16-15(11-14)23-17(25-10-4-9-22)24(16)12-13-5-2-1-3-6-13/h1-3,5-8,11H,4,10,12H2