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

Systemtic Name: 5-[1-(6-methoxypyridin-3-yl)-5-pyridin-2-yl-pyrazol-3-yl]-1,4,5-oxathiazepane 4,4-dioxide Openeye Name: 5-[1-(6-methoxy-3-pyridyl)-5-(2-pyridyl)pyrazol-3-yl]-1,4,5-oxathiazepane 4,4-dioxide CAS Name: 5-[1-(6-methoxy-3-pyridinyl)-5-(2-pyridinyl)-3-pyrazolyl]-1,4,5-oxathiazepane 4,4-dioxide IUPAC Name: 5-[1-(6-methoxypyridin-3-yl)-5-pyridin-2-ylpyrazol-3-yl]-1,4,5-oxathiazepane 4,4-dioxide Traditional Name: 5-[1-(6-methoxy-3-pyridyl)-5-(2-pyridyl)pyrazol-3-yl]-1,4,5-oxathiazepane 4,4-dioxide Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O4S/c1-26-18-6-5-14(13-20-18)23-16(15-4-2-3-7-19-15)12-17(21-23)22-8-9-27-10-11-28(22,24)25/h2-7,12-13H,8-11H2,1H3