4-[2-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid

Systemtic Name: 4-[2-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[(5-keto-6-phenyl-2H-1,2,4-triazin-3-yl)thio]ethoxy]benzoic acid Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=NC2=O)SCCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=NC2=O)SCCOC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H15N3O4S/c22-16-15(12-4-2-1-3-5-12)20-21-18(19-16)26-11-10-25-14-8-6-13(7-9-14)17(23)24/h1-9H,10-11H2,(H,23,24)(H,19,21,22)