3-(2-bromophenyl)-5-(naphthalen-1-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-(2-bromophenyl)-5-(naphthalen-1-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-(2-bromophenyl)-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-bromophenyl)-5-(1-naphthalenylmethylthio)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(2-bromophenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(2-bromophenyl)-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C26H20BrN3S MolecularWeight: 486.4261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5Br

InChI

InChI=1S/C26H20BrN3S/c27-24-16-7-6-15-23(24)25-28-29-26(30(25)17-19-9-2-1-3-10-19)31-18-21-13-8-12-20-11-4-5-14-22(20)21/h1-16H,17-18H2