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

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C19H21BrN4O4S MolecularWeight: 481.36344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=CC(=C(C=C3Br)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=CC(=C(C=C3Br)OC)OC)OC

InChI

InChI=1S/C19H21BrN4O4S/c1-25-14-6-5-11(7-15(14)26-2)18-22-23-19(24(18)21)29-10-12-8-16(27-3)17(28-4)9-13(12)20/h5-9H,10,21H2,1-4H3