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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-(p-tolyl)-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)C2=NC(=NN2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=CC=C3)Br

InChI

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