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

Systemtic Name: 4-[2-[(6-tert-butyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[(6-tert-butyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(6-tert-butyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(6-tert-butyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[(6-tert-butyl-5-keto-2H-1,2,4-triazin-3-yl)thio]ethoxy]benzoic acid Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=NC1=O)SCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NNC(=NC1=O)SCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H19N3O4S/c1-16(2,3)12-13(20)17-15(19-18-12)24-9-8-23-11-6-4-10(5-7-11)14(21)22/h4-7H,8-9H2,1-3H3,(H,21,22)(H,17,19,20)