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

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-5-cyclopropyl-4-methyl-1,2,4-triazole IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole Traditional Name: 3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-5-cyclopropyl-4-methyl-1,2,4-triazole Formula: C15H18BrN3O2S MolecularWeight: 384.29132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=C(C=C2Br)OC)OC)C3CC3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=C(C=C2Br)OC)OC)C3CC3

InChI

InChI=1S/C15H18BrN3O2S/c1-19-14(9-4-5-9)17-18-15(19)22-8-10-6-12(20-2)13(21-3)7-11(10)16/h6-7,9H,4-5,8H2,1-3H3