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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine Traditional Name: [3-[(5-bromo-2-methoxy-benzyl)thio]-5-cyclopropyl-1,2,4-triazol-4-yl]amine Formula: C13H15BrN4OS MolecularWeight: 355.2534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN4OS/c1-19-11-5-4-10(14)6-9(11)7-20-13-17-16-12(18(13)15)8-2-3-8/h4-6,8H,2-3,7,15H2,1H3