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

Systemtic Name: 2-cyclopentylsulfanylethyl 3-cyclopentyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: 2-cyclopentylsulfanylethyl 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-(cyclopentylthio)ethyl ester IUPAC Name: 2-cyclopentylsulfanylethyl 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-(cyclopentylthio)ethyl ester Formula: C27H34N4O4S MolecularWeight: 510.64826

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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)OCCSC5CCCC5

Isomeric SMILES

CC1=C(C(C2=C(NN(C2=N1)C)C3CCCC3)C4=CC=CC=C4[N+](=O)[O-])C(=O)OCCSC5CCCC5

InChI

InChI=1S/C27H34N4O4S/c1-17-22(27(32)35-15-16-36-19-11-5-6-12-19)23(20-13-7-8-14-21(20)31(33)34)24-25(18-9-3-4-10-18)29-30(2)26(24)28-17/h7-8,13-14,18-19,23,29H,3-6,9-12,15-16H2,1-2H3