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

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4,5-dicyclopropyl-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4,5-dicyclopropyl-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4,5-dicyclopropyl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4,5-dicyclopropyl-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4,5-dicyclopropyl-1,2,4-triazole Formula: C16H16BrN3O2S MolecularWeight: 394.28614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=CC5=C(C=C4Br)OCO5

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C16H16BrN3O2S/c17-12-6-14-13(21-8-22-14)5-10(12)7-23-16-19-18-15(9-1-2-9)20(16)11-3-4-11/h5-6,9,11H,1-4,7-8H2