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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3-bromo-4-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)CSC2=NNC(=O)N2C3CC3)Br

Isomeric SMILES

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

InChI

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