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

Systemtic Name: 3-[3-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[3-[2-(2-ethylanilino)-2-oxo-ethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[3-[[2-(2-ethylanilino)-2-oxoethyl]thio]-5-oxo-2H-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[3-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[3-[[2-(2-ethylanilino)-2-keto-ethyl]thio]-5-keto-2H-1,2,4-triazin-6-yl]propionate Formula: C16H17N4O4S- MolecularWeight: 361.39558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c1-2-10-5-3-4-6-11(10)17-13(21)9-25-16-18-15(24)12(19-20-16)7-8-14(22)23/h3-6H,2,7-9H2,1H3,(H,17,21)(H,22,23)(H,18,20,24)/p-1