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

Systemtic Name: 4-[3-[(6-methyl-5-oxidanidyl-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(6-methyl-5-oxido-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(6-methyl-5-oxido-1,2,4-triazin-3-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(6-methyl-5-oxido-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(6-methyl-5-oxido-1,2,4-triazin-3-yl)thio]propoxy]benzoate Formula: C14H13N3O4S-2 MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCCCOC2=CC=C(C=C2)C(=O)[O-])[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCCCOC2=CC=C(C=C2)C(=O)[O-])[O-]

InChI

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