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

Systemtic Name: 3-[4-azanyl-3-[(3,4-dichlorophenyl)methylsulfanyl]-5-oxidanylidene-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[4-amino-3-[(3,4-dichlorophenyl)methylsulfanyl]-5-oxo-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[4-amino-3-[(3,4-dichlorophenyl)methylthio]-5-oxo-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[4-amino-3-[(3,4-dichlorophenyl)methylsulfanyl]-5-oxo-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[4-amino-3-[(3,4-dichlorobenzyl)thio]-5-keto-1,2,4-triazin-6-yl]propionate Formula: C13H11Cl2N4O3S- MolecularWeight: 374.22244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSC2=NN=C(C(=O)N2N)CCC(=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CSC2=NN=C(C(=O)N2N)CCC(=O)[O-])Cl)Cl

InChI

InChI=1S/C13H12Cl2N4O3S/c14-8-2-1-7(5-9(8)15)6-23-13-18-17-10(3-4-11(20)21)12(22)19(13)16/h1-2,5H,3-4,6,16H2,(H,20,21)/p-1