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

Systemtic Name: 3-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C16H17BrN4O2S2 MolecularWeight: 441.36578

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CSC(=N2)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CSC(=N2)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C16H17BrN4O2S2/c1-3-6-21-15(22)19-20-16(21)25-9-11-8-24-14(18-11)12-7-10(17)4-5-13(12)23-2/h4-5,7-8H,3,6,9H2,1-2H3,(H,19,22)