3-[(3-bromophenyl)methylsulfanyl]-5-(phenoxymethyl)-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(phenoxymethyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(3-bromophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(phenoxymethyl)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(3-bromophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-[(3-bromobenzyl)thio]-5-(phenoxymethyl)-1,2,4-triazole Formula: C23H20BrN3OS MolecularWeight: 466.3934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC(=CC=C3)Br)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC(=CC=C3)Br)COC4=CC=CC=C4

InChI

InChI=1S/C23H20BrN3OS/c24-20-11-7-10-19(14-20)17-29-23-26-25-22(16-28-21-12-5-2-6-13-21)27(23)15-18-8-3-1-4-9-18/h1-14H,15-17H2