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

Systemtic Name: 5-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid Openeye Name: 5-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid CAS Name: 5-[[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)thio]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[(5-keto-6-phenyl-2H-1,2,4-triazin-3-yl)thio]methyl]-2-thenoic acid Formula: C15H11N3O3S2 MolecularWeight: 345.39614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=NC2=O)SCC3=CC=C(S3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=NC2=O)SCC3=CC=C(S3)C(=O)O

InChI

InChI=1S/C15H11N3O3S2/c19-13-12(9-4-2-1-3-5-9)17-18-15(16-13)22-8-10-6-7-11(23-10)14(20)21/h1-7H,8H2,(H,20,21)(H,16,18,19)