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

Systemtic Name: 3-[3-[(3,4-dichlorophenyl)methylsulfanyl]-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[3-[(3,4-dichlorophenyl)methylsulfanyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[3-[(3,4-dichlorophenyl)methylthio]-5-oxo-2H-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[3-[(3,4-dichlorophenyl)methylsulfanyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[3-[(3,4-dichlorobenzyl)thio]-5-keto-2H-1,2,4-triazin-6-yl]propionate Formula: C13H10Cl2N3O3S- MolecularWeight: 359.2078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11Cl2N3O3S/c14-8-2-1-7(5-9(8)15)6-22-13-16-12(21)10(17-18-13)3-4-11(19)20/h1-2,5H,3-4,6H2,(H,19,20)(H,16,18,21)/p-1