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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC3=CC=C(C=C3)Br

InChI

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