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

Systemtic Name: 3-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[[2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C13H12BrN5OS2 MolecularWeight: 398.30128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)CSC3=NNC(=N3)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)CSC3=NNC(=N3)N

InChI

InChI=1S/C13H12BrN5OS2/c1-20-10-3-2-7(14)4-9(10)11-16-8(5-21-11)6-22-13-17-12(15)18-19-13/h2-5H,6H2,1H3,(H3,15,17,18,19)