5-(2-bromophenyl)-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(2-bromophenyl)-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(2-bromophenyl)-3-(p-tolylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-(2-bromophenyl)-3-[(4-methylphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(2-bromophenyl)-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(2-bromophenyl)-3-[(4-methylbenzyl)thio]-1H-1,2,4-triazole Formula: C16H14BrN3S MolecularWeight: 360.27146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C16H14BrN3S/c1-11-6-8-12(9-7-11)10-21-16-18-15(19-20-16)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,18,19,20)