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

Systemtic Name: 3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole Openeye Name: 3-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole CAS Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-5-cyclopropyl-4-ethyl-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole Traditional Name: 3-[(4-bromo-2,5-dimethoxy-benzyl)thio]-5-cyclopropyl-4-ethyl-1,2,4-triazole Formula: C16H20BrN3O2S MolecularWeight: 398.3179

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=C(C=C2OC)Br)OC)C3CC3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=C(C=C2OC)Br)OC)C3CC3

InChI

InChI=1S/C16H20BrN3O2S/c1-4-20-15(10-5-6-10)18-19-16(20)23-9-11-7-14(22-3)12(17)8-13(11)21-2/h7-8,10H,4-6,9H2,1-3H3