3-(5-oxidanylidene-3-propylsulfanyl-2H-1,2,4-triazin-6-yl)propanoic acid

Systemtic Name: 3-(5-oxidanylidene-3-propylsulfanyl-2H-1,2,4-triazin-6-yl)propanoic acid Openeye Name: 3-(5-oxo-3-propylsulfanyl-2H-1,2,4-triazin-6-yl)propanoic acid CAS Name: 3-[5-oxo-3-(propylthio)-2H-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-(5-oxo-3-propylsulfanyl-2H-1,2,4-triazin-6-yl)propanoic acid Traditional Name: 3-[5-keto-3-(propylthio)-2H-1,2,4-triazin-6-yl]propionic acid Formula: C9H13N3O3S MolecularWeight: 243.28282

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=O)C(=NN1)CCC(=O)O

Isomeric SMILES

CCCSC1=NC(=O)C(=NN1)CCC(=O)O

InChI

InChI=1S/C9H13N3O3S/c1-2-5-16-9-10-8(15)6(11-12-9)3-4-7(13)14/h2-5H2,1H3,(H,13,14)(H,10,12,15)