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

Systemtic Name: 3-(4-bromophenyl)-4-ethyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-bromophenyl)-4-ethyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-4-ethyl-5-[(3-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-4-ethyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-bromophenyl)-4-ethyl-5-[(3-methylbenzyl)thio]-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)C)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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