ethyl 3-oxidanylidene-2-[[5-oxidanylidene-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]sulfanyl]butanoate

Systemtic Name: ethyl 3-oxidanylidene-2-[[5-oxidanylidene-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[(6-benzyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]-3-oxo-butanoate CAS Name: 3-oxo-2-[[5-oxo-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[(6-benzyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]-3-oxobutanoate Traditional Name: 2-[(6-benzyl-5-keto-2H-1,2,4-triazin-3-yl)thio]-3-keto-butyric acid ethyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=NC(=O)C(=NN1)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=NC(=O)C(=NN1)CC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O4S/c1-3-23-15(22)13(10(2)20)24-16-17-14(21)12(18-19-16)9-11-7-5-4-6-8-11/h4-8,13H,3,9H2,1-2H3,(H,17,19,21)