1-[(4-bromophenyl)methyl]-5-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 1-[(4-bromophenyl)methyl]-5-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 1-[(4-bromophenyl)methyl]-5-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 1-[(4-bromophenyl)methyl]-5-[(4-bromophenyl)methylthio]-1,2,4-triazole IUPAC Name: 1-[(4-bromophenyl)methyl]-5-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 1-(4-bromobenzyl)-5-[(4-bromobenzyl)thio]-1,2,4-triazole Formula: C16H13Br2N3S MolecularWeight: 439.16752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=NC=N2)SCC3=CC=C(C=C3)Br)Br

Isomeric SMILES

C1=CC(=CC=C1CN2C(=NC=N2)SCC3=CC=C(C=C3)Br)Br

InChI

InChI=1S/C16H13Br2N3S/c17-14-5-1-12(2-6-14)9-21-16(19-11-20-21)22-10-13-3-7-15(18)8-4-13/h1-8,11H,9-10H2