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

Systemtic Name: 3-[4-azanyl-5-oxidanylidene-3-(phenylmethylsulfanyl)-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-(4-amino-3-benzylsulfanyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid CAS Name: 3-[4-amino-5-oxo-3-(phenylmethylthio)-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-(4-amino-3-benzylsulfanyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid Traditional Name: 3-[4-amino-3-(benzylthio)-5-keto-1,2,4-triazin-6-yl]propionic acid Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3S/c14-17-12(20)10(6-7-11(18)19)15-16-13(17)21-8-9-4-2-1-3-5-9/h1-5H,6-8,14H2,(H,18,19)