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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC3=CC4=C(C=C3Br)OCO4

InChI

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