3-[[4-(4-fluorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[4-(4-fluorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(4-fluorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C18H15FN4S MolecularWeight: 338.401903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)F)SCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)F)SCCC#N

InChI

InChI=1S/C18H15FN4S/c19-15-7-9-16(10-8-15)23-17(13-14-5-2-1-3-6-14)21-22-18(23)24-12-4-11-20/h1-3,5-10H,4,12-13H2