3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)N)C2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C13H16N4OS/c1-2-17-12(10-6-4-3-5-7-10)15-16-13(17)19-9-8-11(14)18/h3-7H,2,8-9H2,1H3,(H2,14,18)