3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-cyclopropyl-4-methyl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-cyclopropyl-4-methyl-1,2,4-triazole Formula: C14H14BrN3O2S MolecularWeight: 368.24886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)C4CC4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)C4CC4

InChI

InChI=1S/C14H14BrN3O2S/c1-18-13(8-2-3-8)16-17-14(18)21-6-9-4-11-12(5-10(9)15)20-7-19-11/h4-5,8H,2-3,6-7H2,1H3