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

Systemtic Name: 3-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine Openeye Name: 3-[(2-bromo-4,5-diethoxy-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine CAS Name: 3-[(2-bromo-4,5-diethoxyphenyl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine Traditional Name: [3-[(2-bromo-4,5-diethoxy-benzyl)thio]-5-cyclopropyl-1,2,4-triazol-4-yl]amine Formula: C16H21BrN4O2S MolecularWeight: 413.33254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CSC2=NN=C(N2N)C3CC3)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CSC2=NN=C(N2N)C3CC3)Br)OCC

InChI

InChI=1S/C16H21BrN4O2S/c1-3-22-13-7-11(12(17)8-14(13)23-4-2)9-24-16-20-19-15(21(16)18)10-5-6-10/h7-8,10H,3-6,9,18H2,1-2H3