4-[3-[(6-tert-butyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate

Systemtic Name: 4-[3-[(6-tert-butyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(6-tert-butyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(6-tert-butyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(6-tert-butyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(6-tert-butyl-5-keto-2H-1,2,4-triazin-3-yl)thio]propoxy]benzoate Formula: C17H20N3O4S- MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=NC1=O)SCCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NNC(=NC1=O)SCCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-17(2,3)13-14(21)18-16(20-19-13)25-10-4-9-24-12-7-5-11(6-8-12)15(22)23/h5-8H,4,9-10H2,1-3H3,(H,22,23)(H,18,20,21)/p-1