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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-ethyl-5-(2-methoxyphenyl)-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)C3=CC=CC=C3OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=CC=C3OC

InChI

InChI=1S/C18H18BrN3OS/c1-3-22-17(15-6-4-5-7-16(15)23-2)20-21-18(22)24-12-13-8-10-14(19)11-9-13/h4-11H,3,12H2,1-2H3