3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(2-methyl-3-furyl)-1,2,4-triazol-4-amine CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-(2-methyl-3-furanyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine Traditional Name: [3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-(2-methyl-3-furyl)-1,2,4-triazol-4-yl]amine Formula: C16H15BrN4O3S MolecularWeight: 423.2843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2N)SCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2N)SCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C16H15BrN4O3S/c1-9-11(2-3-22-9)15-19-20-16(21(15)18)25-8-10-6-13-14(7-12(10)17)24-5-4-23-13/h2-3,6-7H,4-5,8,18H2,1H3