ethyl 5-methyl-2-[(2-nitrophenyl)methylsulfanyl]pyrazolo[1,5-a]pyridine-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[(2-nitrophenyl)methylsulfanyl]pyrazolo[1,5-a]pyridine-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(2-nitrophenyl)methylsulfanyl]pyrazolo[1,5-a]pyridine-3-carboxylate CAS Name: 5-methyl-2-[(2-nitrophenyl)methylthio]-3-pyrazolo[1,5-a]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(2-nitrophenyl)methylsulfanyl]pyrazolo[1,5-a]pyridine-3-carboxylate Traditional Name: 5-methyl-2-[(2-nitrobenzyl)thio]pyrazolo[1,5-a]pyridine-3-carboxylic acid ethyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(C=CN2N=C1SCC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CN2N=C1SCC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O4S/c1-3-25-18(22)16-15-10-12(2)8-9-20(15)19-17(16)26-11-13-6-4-5-7-14(13)21(23)24/h4-10H,3,11H2,1-2H3