3-[[6-(3,4-dimethylphenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[6-(3,4-dimethylphenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[6-(3,4-dimethylphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[6-(3,4-dimethylphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]thio]propanoic acid IUPAC Name: 3-[[6-(3,4-dimethylphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[6-(3,4-dimethylphenyl)-5-keto-2H-1,2,4-triazin-3-yl]thio]propionic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=NC2=O)SCCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=NC2=O)SCCC(=O)O)C

InChI

InChI=1S/C14H15N3O3S/c1-8-3-4-10(7-9(8)2)12-13(20)15-14(17-16-12)21-6-5-11(18)19/h3-4,7H,5-6H2,1-2H3,(H,18,19)(H,15,17,20)