5-[[5-oxidanylidene-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[5-oxidanylidene-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(6-benzyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[5-oxo-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(6-benzyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(6-benzyl-5-keto-2H-1,2,4-triazin-3-yl)thio]methyl]-2-furoic acid Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C16H13N3O4S/c20-14-12(8-10-4-2-1-3-5-10)18-19-16(17-14)24-9-11-6-7-13(23-11)15(21)22/h1-7H,8-9H2,(H,21,22)(H,17,19,20)