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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-ethyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine Traditional Name: [3-[(3-bromo-4-methoxy-benzyl)thio]-5-ethyl-1,2,4-triazol-4-yl]amine Formula: C12H15BrN4OS MolecularWeight: 343.2427

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)SCC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCC1=NN=C(N1N)SCC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C12H15BrN4OS/c1-3-11-15-16-12(17(11)14)19-7-8-4-5-10(18-2)9(13)6-8/h4-6H,3,7,14H2,1-2H3