4-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C23H17BrN4S MolecularWeight: 461.37688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=CC=C4Br

InChI

InChI=1S/C23H17BrN4S/c24-21-9-5-4-8-20(21)22-26-27-23(28(22)15-18-6-2-1-3-7-18)29-16-19-12-10-17(14-25)11-13-19/h1-13H,15-16H2