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

Systemtic Name: 3-[4-azanyl-3-[(4-chlorophenyl)methylsulfanyl]-5-oxidanylidene-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[4-amino-3-[(4-chlorophenyl)methylsulfanyl]-5-oxo-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[4-amino-3-[(4-chlorophenyl)methylthio]-5-oxo-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[4-amino-3-[(4-chlorophenyl)methylsulfanyl]-5-oxo-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[4-amino-3-[(4-chlorobenzyl)thio]-5-keto-1,2,4-triazin-6-yl]propionate Formula: C13H12ClN4O3S- MolecularWeight: 339.77738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN4O3S/c14-9-3-1-8(2-4-9)7-22-13-17-16-10(5-6-11(19)20)12(21)18(13)15/h1-4H,5-7,15H2,(H,19,20)/p-1