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

Systemtic Name: 3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-5-(2-furanyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-bromo-2,5-dimethoxy-benzyl)thio]-5-(2-furyl)-1,2,4-triazol-4-yl]amine Formula: C15H15BrN4O3S MolecularWeight: 411.2736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSC2=NN=C(N2N)C3=CC=CO3)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CSC2=NN=C(N2N)C3=CC=CO3)OC)Br

InChI

InChI=1S/C15H15BrN4O3S/c1-21-12-7-10(16)13(22-2)6-9(12)8-24-15-19-18-14(20(15)17)11-4-3-5-23-11/h3-7H,8,17H2,1-2H3