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

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-cyclopropyl-4-ethyl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-cyclopropyl-4-ethyl-1,2,4-triazole Formula: C15H16BrN3O2S MolecularWeight: 382.27544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)C4CC4

InChI

InChI=1S/C15H16BrN3O2S/c1-2-19-14(9-3-4-9)17-18-15(19)22-7-10-5-12-13(6-11(10)16)21-8-20-12/h5-6,9H,2-4,7-8H2,1H3