3-(3-butylsulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl)propanamide

Systemtic Name: 3-(3-butylsulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl)propanamide Openeye Name: 3-[3-butylsulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(butylthio)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-(3-butylsulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl)propanamide Traditional Name: 3-[3-(butylthio)-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C13H18N4OS2 MolecularWeight: 310.43822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1CCC(=O)N)C2=CC=CS2

Isomeric SMILES

CCCCSC1=NN=C(N1CCC(=O)N)C2=CC=CS2

InChI

InChI=1S/C13H18N4OS2/c1-2-3-8-20-13-16-15-12(10-5-4-9-19-10)17(13)7-6-11(14)18/h4-5,9H,2-3,6-8H2,1H3,(H2,14,18)