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

Systemtic Name: 3-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(5-bromo-2-thienyl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(5-bromo-2-thiophenyl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(5-bromo-2-thienyl)-2-keto-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C11H12BrN3O2S2 MolecularWeight: 362.26588

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C11H12BrN3O2S2/c1-2-5-15-10(17)13-14-11(15)18-6-7(16)8-3-4-9(12)19-8/h3-4H,2,5-6H2,1H3,(H,13,17)