5-[1-(6-methoxypyridazin-3-yl)-5-pyridin-2-yl-pyrazol-3-yl]-1,4,5-oxathiazepane 4,4-dioxide

Systemtic Name: 5-[1-(6-methoxypyridazin-3-yl)-5-pyridin-2-yl-pyrazol-3-yl]-1,4,5-oxathiazepane 4,4-dioxide Openeye Name: 5-[1-(6-methoxypyridazin-3-yl)-5-(2-pyridyl)pyrazol-3-yl]-1,4,5-oxathiazepane 4,4-dioxide CAS Name: 5-[1-(6-methoxy-3-pyridazinyl)-5-(2-pyridinyl)-3-pyrazolyl]-1,4,5-oxathiazepane 4,4-dioxide IUPAC Name: 5-[1-(6-methoxypyridazin-3-yl)-5-pyridin-2-ylpyrazol-3-yl]-1,4,5-oxathiazepane 4,4-dioxide Traditional Name: 5-[1-(6-methoxypyridazin-3-yl)-5-(2-pyridyl)pyrazol-3-yl]-1,4,5-oxathiazepane 4,4-dioxide Formula: C17H18N6O4S MolecularWeight: 402.42762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)N2C(=CC(=N2)N3CCOCCS3(=O)=O)C4=CC=CC=N4

Isomeric SMILES

COC1=NN=C(C=C1)N2C(=CC(=N2)N3CCOCCS3(=O)=O)C4=CC=CC=N4

InChI

InChI=1S/C17H18N6O4S/c1-26-17-6-5-15(19-20-17)23-14(13-4-2-3-7-18-13)12-16(21-23)22-8-9-27-10-11-28(22,24)25/h2-7,12H,8-11H2,1H3