4-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylbutanenitrile Openeye Name: 4-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylbutanenitrile CAS Name: 4-[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]butanenitrile IUPAC Name: 4-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]butyronitrile Formula: C19H16F3N3S MolecularWeight: 375.41065

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=C2SCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2SCCCC#N

InChI

InChI=1S/C19H16F3N3S/c20-19(21,22)15-8-9-17-16(12-15)24-18(26-11-5-4-10-23)25(17)13-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,11,13H2