4-ethoxy-3-(1-methyl-3-propyl-7-sulfanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride

Systemtic Name: 4-ethoxy-3-(1-methyl-3-propyl-7-sulfanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride Openeye Name: 4-ethoxy-3-(1-methyl-3-propyl-7-thioxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride CAS Name: 4-ethoxy-3-(1-methyl-3-propyl-7-sulfanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride IUPAC Name: 4-ethoxy-3-(1-methyl-3-propyl-7-sulfanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride Traditional Name: 4-ethoxy-3-(1-methyl-3-propyl-7-thioxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride Formula: C17H19ClN4O3S2 MolecularWeight: 426.94076

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)Cl)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)Cl)OCC)C

InChI

InChI=1S/C17H19ClN4O3S2/c1-4-6-12-14-15(22(3)21-12)17(26)20-16(19-14)11-9-10(27(18,23)24)7-8-13(11)25-5-2/h7-9H,4-6H2,1-3H3,(H,19,20,26)