3-(4-piperidin-1-ylphenyl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine

Systemtic Name: 3-(4-piperidin-1-ylphenyl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine Openeye Name: 3-[4-(1-piperidyl)phenyl]-6-(3-pyridylmethylsulfanyl)pyridazine CAS Name: 3-[4-(1-piperidinyl)phenyl]-6-(3-pyridinylmethylthio)pyridazine IUPAC Name: 3-(4-piperidin-1-ylphenyl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine Traditional Name: 3-(4-piperidinophenyl)-6-(3-pyridylmethylthio)pyridazine Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C3=NN=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C3=NN=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C21H22N4S/c1-2-13-25(14-3-1)19-8-6-18(7-9-19)20-10-11-21(24-23-20)26-16-17-5-4-12-22-15-17/h4-12,15H,1-3,13-14,16H2