3-(3-methylsulfonylphenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

Systemtic Name: 3-(3-methylsulfonylphenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine Openeye Name: 3-(3-methylsulfonylphenyl)-6-(1-piperidyl)-[1,2,4]triazolo[4,3-b]pyridazine CAS Name: 3-(3-methylsulfonylphenyl)-6-(1-piperidinyl)-[1,2,4]triazolo[4,3-b]pyridazine IUPAC Name: 3-(3-methylsulfonylphenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine Traditional Name: 3-(3-mesylphenyl)-6-piperidino-[1,2,4]triazolo[4,3-b]pyridazine Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2=NN=C3N2N=C(C=C3)N4CCCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2=NN=C3N2N=C(C=C3)N4CCCCC4

InChI

InChI=1S/C17H19N5O2S/c1-25(23,24)14-7-5-6-13(12-14)17-19-18-15-8-9-16(20-22(15)17)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11H2,1H3