4-[3-[(3-oxidanylidene-2H-1,2,4-triazin-5-yl)sulfanyl]propoxy]benzoic acid

Systemtic Name: 4-[3-[(3-oxidanylidene-2H-1,2,4-triazin-5-yl)sulfanyl]propoxy]benzoic acid Openeye Name: 4-[3-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]propoxy]benzoic acid CAS Name: 4-[3-[(3-oxo-2H-1,2,4-triazin-5-yl)thio]propoxy]benzoic acid IUPAC Name: 4-[3-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]propoxy]benzoic acid Traditional Name: 4-[3-[(3-keto-2H-1,2,4-triazin-5-yl)thio]propoxy]benzoic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCCCSC2=NC(=O)NN=C2

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCCCSC2=NC(=O)NN=C2

InChI

InChI=1S/C13H13N3O4S/c17-12(18)9-2-4-10(5-3-9)20-6-1-7-21-11-8-14-16-13(19)15-11/h2-5,8H,1,6-7H2,(H,17,18)(H,15,16,19)