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

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazol-4-amine CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(2-furanyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Traditional Name: [3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(2-furyl)-1,2,4-triazol-4-yl]amine Formula: C14H11BrN4O3S MolecularWeight: 395.23114

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(N3N)C4=CC=CO4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(N3N)C4=CC=CO4)Br

InChI

InChI=1S/C14H11BrN4O3S/c15-9-5-12-11(21-7-22-12)4-8(9)6-23-14-18-17-13(19(14)16)10-2-1-3-20-10/h1-5H,6-7,16H2