3-[(2-bromophenyl)methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[(2-bromophenyl)methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole Openeye Name: 3-[(2-bromophenyl)methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole CAS Name: 3-[(2-bromophenyl)methylthio]-4-methyl-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-bromophenyl)methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole Traditional Name: 3-[(2-bromobenzyl)thio]-4-methyl-5-phenyl-1,2,4-triazole Formula: C16H14BrN3S MolecularWeight: 360.27146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2Br)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2Br)C3=CC=CC=C3

InChI

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