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

Systemtic Name: 2-propan-2-ylsulfanylethyl 3-cyclopentyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: 2-isopropylsulfanylethyl 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-(propan-2-ylthio)ethyl ester IUPAC Name: 2-propan-2-ylsulfanylethyl 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-(isopropylthio)ethyl ester Formula: C25H32N4O4S MolecularWeight: 484.61098

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O4S/c1-15(2)34-14-13-33-25(30)20-16(3)26-24-22(23(27-28(24)4)17-9-5-6-10-17)21(20)18-11-7-8-12-19(18)29(31)32/h7-8,11-12,15,17,21,27H,5-6,9-10,13-14H2,1-4H3