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

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C14H16BrN3O3S MolecularWeight: 386.26414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN3O3S/c1-20-11-5-8(10(15)6-12(11)21-2)7-22-14-17-16-13(19)18(14)9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,16,19)