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

Systemtic Name: 3-[4-azanyl-3-[(3-methylphenyl)methylsulfanyl]-5-oxidanylidene-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[4-amino-3-(m-tolylmethylsulfanyl)-5-oxo-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[4-amino-3-[(3-methylphenyl)methylthio]-5-oxo-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[4-amino-3-[(3-methylphenyl)methylsulfanyl]-5-oxo-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[4-amino-5-keto-3-[(3-methylbenzyl)thio]-1,2,4-triazin-6-yl]propionic acid Formula: C14H16N4O3S MolecularWeight: 320.36684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(C(=O)N2N)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(C(=O)N2N)CCC(=O)O

InChI

InChI=1S/C14H16N4O3S/c1-9-3-2-4-10(7-9)8-22-14-17-16-11(5-6-12(19)20)13(21)18(14)15/h2-4,7H,5-6,8,15H2,1H3,(H,19,20)