3-[5-oxidanidyl-3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazin-6-yl]propanoate

Systemtic Name: 3-[5-oxidanidyl-3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[3-(2-anilino-2-oxo-ethyl)sulfanyl-5-oxido-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[3-[(2-anilino-2-oxoethyl)thio]-5-oxido-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[3-(2-anilino-2-oxoethyl)sulfanyl-5-oxido-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[3-[(2-anilino-2-keto-ethyl)thio]-5-oxido-1,2,4-triazin-6-yl]propionate Formula: C14H12N4O4S-2 MolecularWeight: 332.33448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)CCC(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)CCC(=O)[O-])[O-]

InChI

InChI=1S/C14H14N4O4S/c19-11(15-9-4-2-1-3-5-9)8-23-14-16-13(22)10(17-18-14)6-7-12(20)21/h1-5H,6-8H2,(H,15,19)(H,20,21)(H,16,18,22)/p-2