ethyl 5-azanyl-1-(1-tert-butyl-6-oxidanylidene-1,2-diazinan-4-yl)-3-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(1-tert-butyl-6-oxidanylidene-1,2-diazinan-4-yl)-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(1-tert-butyl-6-oxo-hexahydropyridazin-4-yl)-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-(1-tert-butyl-6-oxo-4-diazinanyl)-3-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(1-tert-butyl-6-oxodiazinan-4-yl)-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-(1-tert-butyl-6-keto-hexahydropyridazin-4-yl)-3-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C15H25N5O3S MolecularWeight: 355.4557

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)C2CC(=O)N(NC2)C(C)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C2CC(=O)N(NC2)C(C)(C)C)N

InChI

InChI=1S/C15H25N5O3S/c1-6-23-14(22)11-12(16)19(18-13(11)24-5)9-7-10(21)20(17-8-9)15(2,3)4/h9,17H,6-8,16H2,1-5H3