3-[3-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate

Systemtic Name: 3-[3-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[3-[2-(3-acetylanilino)-2-oxo-ethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[3-[[2-(3-acetylanilino)-2-oxoethyl]thio]-5-oxo-2H-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[3-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[3-[[2-(3-acetylanilino)-2-keto-ethyl]thio]-5-keto-2H-1,2,4-triazin-6-yl]propionate Formula: C16H15N4O5S- MolecularWeight: 375.3791

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)[O-]

InChI

InChI=1S/C16H16N4O5S/c1-9(21)10-3-2-4-11(7-10)17-13(22)8-26-16-18-15(25)12(19-20-16)5-6-14(23)24/h2-4,7H,5-6,8H2,1H3,(H,17,22)(H,23,24)(H,18,20,25)/p-1