3-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(5-bromo-2-thienyl)-2-oxo-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(5-bromo-2-thiophenyl)-2-oxoethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(5-bromo-2-thienyl)-2-keto-ethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C12H14BrN3O2S2 MolecularWeight: 376.29246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C12H14BrN3O2S2/c1-2-3-6-16-11(18)14-15-12(16)19-7-8(17)9-4-5-10(13)20-9/h4-5H,2-3,6-7H2,1H3,(H,14,18)