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

Systemtic Name: 3-[4-azanyl-3-[(3-chlorophenyl)methylsulfanyl]-5-oxidanylidene-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[4-amino-3-[(3-chlorophenyl)methylsulfanyl]-5-oxo-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[4-amino-3-[(3-chlorophenyl)methylthio]-5-oxo-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[4-amino-3-[(3-chlorophenyl)methylsulfanyl]-5-oxo-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[4-amino-3-[(3-chlorobenzyl)thio]-5-keto-1,2,4-triazin-6-yl]propionic acid Formula: C13H13ClN4O3S MolecularWeight: 340.78532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CSC2=NN=C(C(=O)N2N)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CSC2=NN=C(C(=O)N2N)CCC(=O)O

InChI

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