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

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazol-4-amine CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-(2-furanyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Traditional Name: [3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-(2-furyl)-1,2,4-triazol-4-yl]amine Formula: C15H13BrN4O3S MolecularWeight: 409.25772

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NN=C(N3N)C4=CC=CO4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NN=C(N3N)C4=CC=CO4

InChI

InChI=1S/C15H13BrN4O3S/c16-10-7-13-12(22-4-5-23-13)6-9(10)8-24-15-19-18-14(20(15)17)11-2-1-3-21-11/h1-3,6-7H,4-5,8,17H2