N-(3-butylsulfanylpropyl)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)ethanamide

Systemtic Name: N-(3-butylsulfanylpropyl)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)ethanamide Openeye Name: N-(3-butylsulfanylpropyl)-2-(3-methyl-5-oxo-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)acetamide CAS Name: N-[3-(butylthio)propyl]-2-(3-methyl-5-oxo-1-phenyl-4-pyrazolo[3,4-b][1,4]thiazinyl)acetamide IUPAC Name: N-(3-butylsulfanylpropyl)-2-(3-methyl-5-oxo-1-phenylpyrazolo[3,4-b][1,4]thiazin-4-yl)acetamide Traditional Name: N-[3-(butylthio)propyl]-2-(5-keto-3-methyl-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)acetamide Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)CN1C(=O)CSC2=C1C(=NN2C3=CC=CC=C3)C

Isomeric SMILES

CCCCSCCCNC(=O)CN1C(=O)CSC2=C1C(=NN2C3=CC=CC=C3)C

InChI

InChI=1S/C21H28N4O2S2/c1-3-4-12-28-13-8-11-22-18(26)14-24-19(27)15-29-21-20(24)16(2)23-25(21)17-9-6-5-7-10-17/h5-7,9-10H,3-4,8,11-15H2,1-2H3,(H,22,26)