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

Systemtic Name: 3-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C16H15BrN4O2S2 MolecularWeight: 439.3499

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)CSC3=NNC(=O)N3C4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)CSC3=NNC(=O)N3C4CC4

InChI

InChI=1S/C16H15BrN4O2S2/c1-23-13-5-2-9(17)6-12(13)14-18-10(7-24-14)8-25-16-20-19-15(22)21(16)11-3-4-11/h2,5-7,11H,3-4,8H2,1H3,(H,19,22)