5-[(5-oxidanidyl-6-phenyl-1,2,4-triazin-3-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(5-oxidanidyl-6-phenyl-1,2,4-triazin-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(5-oxido-6-phenyl-1,2,4-triazin-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(5-oxido-6-phenyl-1,2,4-triazin-3-yl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(5-oxido-6-phenyl-1,2,4-triazin-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(5-oxido-6-phenyl-1,2,4-triazin-3-yl)thio]methyl]-2-furoate Formula: C15H9N3O4S-2 MolecularWeight: 327.31466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(N=N2)SCC3=CC=C(O3)C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(N=N2)SCC3=CC=C(O3)C(=O)[O-])[O-]

InChI

InChI=1S/C15H11N3O4S/c19-13-12(9-4-2-1-3-5-9)17-18-15(16-13)23-8-10-6-7-11(22-10)14(20)21/h1-7H,8H2,(H,20,21)(H,16,18,19)/p-2