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

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine Traditional Name: [3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-5-cyclopropyl-1,2,4-triazol-4-yl]amine Formula: C14H17BrN4O2S MolecularWeight: 385.27938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NN=C(N2N)C3CC3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NN=C(N2N)C3CC3)Br)OC

InChI

InChI=1S/C14H17BrN4O2S/c1-20-11-5-9(10(15)6-12(11)21-2)7-22-14-18-17-13(19(14)16)8-3-4-8/h5-6,8H,3-4,7,16H2,1-2H3