3-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-5-methyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-5-methyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-5-methyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-(4-chlorophenyl)-5-methyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-5-methyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-(4-chlorophenyl)-5-methyl-1,2,4-triazole Formula: C16H13BrClN3S MolecularWeight: 394.71652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)Cl)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)Cl)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H13BrClN3S/c1-11-19-20-16(21(11)15-8-6-14(18)7-9-15)22-10-12-2-4-13(17)5-3-12/h2-9H,10H2,1H3