1-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]butan-1-one

Systemtic Name: 1-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3-(2-furyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]butan-1-one Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(=NC(=N1)C2=CC=CO2)SC

Isomeric SMILES

CCCC(=O)N1C(=NC(=N1)C2=CC=CO2)SC

InChI

InChI=1S/C11H13N3O2S/c1-3-5-9(15)14-11(17-2)12-10(13-14)8-6-4-7-16-8/h4,6-7H,3,5H2,1-2H3