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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=O)C(=NN2)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=O)C(=NN2)CCC(=O)O

InChI

InChI=1S/C14H15N3O3S/c1-9-3-2-4-10(7-9)8-21-14-15-13(20)11(16-17-14)5-6-12(18)19/h2-4,7H,5-6,8H2,1H3,(H,18,19)(H,15,17,20)