4-(2-methylsulfanylphenyl)-5-nitro-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine

Systemtic Name: 4-(2-methylsulfanylphenyl)-5-nitro-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine Openeye Name: 4-(2-methylsulfanylphenyl)-5-nitro-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine CAS Name: 4-[2-(methylthio)phenyl]-5-nitro-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine IUPAC Name: 4-(2-methylsulfanylphenyl)-5-nitro-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine Traditional Name: 4-[2-(methylthio)phenyl]-5-nitro-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C2=CNNC2=N1)C3=CC=CC=C3SC)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C(C2=CNNC2=N1)C3=CC=CC=C3SC)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O2S/c1-3-6-12-15(20(21)22)14(11-9-17-19-16(11)18-12)10-7-4-5-8-13(10)23-2/h4-5,7-9,14H,3,6H2,1-2H3,(H2,17,18,19)