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

Systemtic Name: 3-(5-oxidanylidene-3-phenacylsulfanyl-2H-1,2,4-triazin-6-yl)propanoic acid Openeye Name: 3-(5-oxo-3-phenacylsulfanyl-2H-1,2,4-triazin-6-yl)propanoic acid CAS Name: 3-[5-oxo-3-(phenacylthio)-2H-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-(5-oxo-3-phenacylsulfanyl-2H-1,2,4-triazin-6-yl)propanoic acid Traditional Name: 3-[5-keto-3-(phenacylthio)-2H-1,2,4-triazin-6-yl]propionic acid Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C(=NN2)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C(=NN2)CCC(=O)O

InChI

InChI=1S/C14H13N3O4S/c18-11(9-4-2-1-3-5-9)8-22-14-15-13(21)10(16-17-14)6-7-12(19)20/h1-5H,6-8H2,(H,19,20)(H,15,17,21)