4-[3-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoic acid

Systemtic Name: 4-[3-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoic acid Openeye Name: 4-[3-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoic acid CAS Name: 4-[3-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio]propoxy]benzoic acid IUPAC Name: 4-[3-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoic acid Traditional Name: 4-[3-[(4-amino-5-keto-6-methyl-1,2,4-triazin-3-yl)thio]propoxy]benzoic acid Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H16N4O4S/c1-9-12(19)18(15)14(17-16-9)23-8-2-7-22-11-5-3-10(4-6-11)13(20)21/h3-6H,2,7-8,15H2,1H3,(H,20,21)