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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-(p-tolyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-ethyl-5-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4-ethyl-5-(p-tolyl)-1,2,4-triazole Formula: C18H18BrN3S MolecularWeight: 388.32462

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H18BrN3S/c1-3-22-17(15-9-7-13(2)8-10-15)20-21-18(22)23-12-14-5-4-6-16(19)11-14/h4-11H,3,12H2,1-2H3