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

Systemtic Name: 4-[3-[(6-methyl-3-oxidanylidene-2H-1,2,4-triazin-5-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(3-keto-6-methyl-2H-1,2,4-triazin-5-yl)thio]propoxy]benzoate Formula: C14H14N3O4S- MolecularWeight: 320.34366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)N=C1SCCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=NNC(=O)N=C1SCCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H15N3O4S/c1-9-12(15-14(20)17-16-9)22-8-2-7-21-11-5-3-10(4-6-11)13(18)19/h3-6H,2,7-8H2,1H3,(H,18,19)(H,15,17,20)/p-1