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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(phenoxymethyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(phenoxymethyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-ethyl-5-(phenoxymethyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(phenoxymethyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-ethyl-5-(phenoxymethyl)-1,2,4-triazole Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)COC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)COC3=CC=CC=C3

InChI

InChI=1S/C18H18BrN3OS/c1-2-22-17(12-23-16-6-4-3-5-7-16)20-21-18(22)24-13-14-8-10-15(19)11-9-14/h3-11H,2,12-13H2,1H3