2-methylsulfanylethyl 3-cyclopentyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: 2-methylsulfanylethyl 3-cyclopentyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: 2-methylsulfanylethyl 3-cyclopentyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 3-cyclopentyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl 3-cyclopentyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 3-cyclopentyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(NN(C2=N1)C)C3CCCC3)C4=CC=CC=C4[N+](=O)[O-])C(=O)OCCSC

Isomeric SMILES

CC1=C(C(C2=C(NN(C2=N1)C)C3CCCC3)C4=CC=CC=C4[N+](=O)[O-])C(=O)OCCSC

InChI

InChI=1S/C23H28N4O4S/c1-14-18(23(28)31-12-13-32-3)19(16-10-6-7-11-17(16)27(29)30)20-21(15-8-4-5-9-15)25-26(2)22(20)24-14/h6-7,10-11,15,19,25H,4-5,8-9,12-13H2,1-3H3