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

Systemtic Name: 4-[(6-tert-butyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(6-tert-butyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(6-tert-butyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(6-tert-butyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(6-tert-butyl-5-keto-2H-1,2,4-triazin-3-yl)thio]methyl]benzoic acid Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=NC1=O)SCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NNC(=NC1=O)SCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H17N3O3S/c1-15(2,3)11-12(19)16-14(18-17-11)22-8-9-4-6-10(7-5-9)13(20)21/h4-7H,8H2,1-3H3,(H,20,21)(H,16,18,19)