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

Systemtic Name: 3-[4-azanyl-3-[(4-methylphenyl)methylsulfanyl]-5-oxidanylidene-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[4-amino-5-oxo-3-(p-tolylmethylsulfanyl)-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[4-amino-3-[(4-methylphenyl)methylthio]-5-oxo-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[4-amino-3-[(4-methylphenyl)methylsulfanyl]-5-oxo-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[4-amino-5-keto-3-[(4-methylbenzyl)thio]-1,2,4-triazin-6-yl]propionate Formula: C14H15N4O3S- MolecularWeight: 319.3589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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