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

Systemtic Name: 3-[3-[(4-chlorophenyl)methylsulfanyl]-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[3-[(4-chlorophenyl)methylsulfanyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[3-[(4-chlorophenyl)methylthio]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[3-[(4-chlorophenyl)methylsulfanyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[3-[(4-chlorobenzyl)thio]-5-keto-2H-1,2,4-triazin-6-yl]propionic acid Formula: C13H12ClN3O3S MolecularWeight: 325.77068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C(=NN2)CCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C(=NN2)CCC(=O)O)Cl

InChI

InChI=1S/C13H12ClN3O3S/c14-9-3-1-8(2-4-9)7-21-13-15-12(20)10(16-17-13)5-6-11(18)19/h1-4H,5-7H2,(H,18,19)(H,15,17,20)