3-[(3-nitrophenyl)methylsulfanyl]-6-(4-piperidin-1-ylphenyl)pyridazine

Systemtic Name: 3-[(3-nitrophenyl)methylsulfanyl]-6-(4-piperidin-1-ylphenyl)pyridazine Openeye Name: 3-[(3-nitrophenyl)methylsulfanyl]-6-[4-(1-piperidyl)phenyl]pyridazine CAS Name: 3-[(3-nitrophenyl)methylthio]-6-[4-(1-piperidinyl)phenyl]pyridazine IUPAC Name: 3-[(3-nitrophenyl)methylsulfanyl]-6-(4-piperidin-1-ylphenyl)pyridazine Traditional Name: 3-[(3-nitrobenzyl)thio]-6-(4-piperidinophenyl)pyridazine Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C3=NN=C(C=C3)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C3=NN=C(C=C3)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O2S/c27-26(28)20-6-4-5-17(15-20)16-29-22-12-11-21(23-24-22)18-7-9-19(10-8-18)25-13-2-1-3-14-25/h4-12,15H,1-3,13-14,16H2