3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-4-ethyl-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-4-ethyl-5-phenyl-1,2,4-triazole Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-4-ethyl-5-phenyl-1,2,4-triazole CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-4-ethyl-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-4-ethyl-5-phenyl-1,2,4-triazole Traditional Name: 3-[(5-bromo-2-methoxy-benzyl)thio]-4-ethyl-5-phenyl-1,2,4-triazole Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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