3-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]thio]-4-ethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]thio]-4-ethyl-1H-1,2,4-triazol-5-one Formula: C13H14BrN3O3S MolecularWeight: 372.23756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)NN=C1SCC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCN1C(=O)NN=C1SCC(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C13H14BrN3O3S/c1-3-17-12(19)15-16-13(17)21-7-10(18)8-4-5-11(20-2)9(14)6-8/h4-6H,3,7H2,1-2H3,(H,15,19)