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

Systemtic Name: 3-[3-[(3-chlorophenyl)methylsulfanyl]-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[3-[(3-chlorophenyl)methylsulfanyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[3-[(3-chlorophenyl)methylthio]-5-oxo-2H-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[3-[(3-chlorophenyl)methylsulfanyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[3-[(3-chlorobenzyl)thio]-5-keto-2H-1,2,4-triazin-6-yl]propionate Formula: C13H11ClN3O3S- MolecularWeight: 324.76274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CSC2=NC(=O)C(=NN2)CCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CSC2=NC(=O)C(=NN2)CCC(=O)[O-]

InChI

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