3-[3-(3-oxidanylidenebutylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-(3-oxidanylidenebutylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-(3-oxobutylsulfanyl)-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(3-oxobutylthio)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-(3-oxobutylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-(3-ketobutylthio)-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C13H16N4O2S2 MolecularWeight: 324.42174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(N1CCC(=O)N)C2=CC=CS2

Isomeric SMILES

CC(=O)CCSC1=NN=C(N1CCC(=O)N)C2=CC=CS2

InChI

InChI=1S/C13H16N4O2S2/c1-9(18)5-8-21-13-16-15-12(10-3-2-7-20-10)17(13)6-4-11(14)19/h2-3,7H,4-6,8H2,1H3,(H2,14,19)