3-(4-bromophenyl)-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-bromophenyl)-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(4-bromophenyl)-4-methyl-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-4-methyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-bromophenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(4-bromophenyl)-4-methyl-1,2,4-triazole Formula: C16H14BrN3S MolecularWeight: 360.27146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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