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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(5-bromo-2-methoxy-benzyl)thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C13H14BrN3O2S MolecularWeight: 356.23816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NNC(=O)N2C3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NNC(=O)N2C3CC3

InChI

InChI=1S/C13H14BrN3O2S/c1-19-11-5-2-9(14)6-8(11)7-20-13-16-15-12(18)17(13)10-3-4-10/h2,5-6,10H,3-4,7H2,1H3,(H,15,18)