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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NNC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1CSC2=NNC(=N2)C3=CC=C(C=C3)Br

InChI

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