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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl

InChI

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