3-[5-oxidanylidene-3-(phenylmethylsulfanyl)-2H-1,2,4-triazin-6-yl]propanoate

Systemtic Name: 3-[5-oxidanylidene-3-(phenylmethylsulfanyl)-2H-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-(3-benzylsulfanyl-5-oxo-2H-1,2,4-triazin-6-yl)propanoate CAS Name: 3-[5-oxo-3-(phenylmethylthio)-2H-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-(3-benzylsulfanyl-5-oxo-2H-1,2,4-triazin-6-yl)propanoate Traditional Name: 3-[3-(benzylthio)-5-keto-2H-1,2,4-triazin-6-yl]propionate Formula: C13H12N3O3S- MolecularWeight: 290.31768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=NN2)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=NN2)CCC(=O)[O-]

InChI

InChI=1S/C13H13N3O3S/c17-11(18)7-6-10-12(19)14-13(16-15-10)20-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,17,18)(H,14,16,19)/p-1