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

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

Click to see the large picture

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)OC(C)SC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4S/c1-13-18(23(28)31-14(2)32-4)19(16-11-7-8-12-17(16)27(29)30)20-21(15-9-5-6-10-15)25-26(3)22(20)24-13/h7-8,11-12,14-15,19,25H,5-6,9-10H2,1-4H3