3-[3-(furan-2-yl)-5-(3-oxidanylidenebutan-2-ylsulfanyl)-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-(furan-2-yl)-5-(3-oxidanylidenebutan-2-ylsulfanyl)-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-(2-furyl)-5-(1-methyl-2-oxo-propyl)sulfanyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(2-furanyl)-5-(3-oxobutan-2-ylthio)-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-(furan-2-yl)-5-(3-oxobutan-2-ylsulfanyl)-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-(2-furyl)-5-[(2-keto-1-methyl-propyl)thio]-1,2,4-triazol-4-yl]propionamide Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NN=C(N1CCC(=O)N)C2=CC=CO2

Isomeric SMILES

CC(C(=O)C)SC1=NN=C(N1CCC(=O)N)C2=CC=CO2

InChI

InChI=1S/C13H16N4O3S/c1-8(18)9(2)21-13-16-15-12(10-4-3-7-20-10)17(13)6-5-11(14)19/h3-4,7,9H,5-6H2,1-2H3,(H2,14,19)