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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC=CC=C4Br

InChI

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