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

Systemtic Name: 5-[1-(6-methoxypyridin-3-yl)-5-phenyl-pyrazol-3-yl]-1,4,5-oxathiazepane 4,4-dioxide Openeye Name: 5-[1-(6-methoxy-3-pyridyl)-5-phenyl-pyrazol-3-yl]-1,4,5-oxathiazepane 4,4-dioxide CAS Name: 5-[1-(6-methoxy-3-pyridinyl)-5-phenyl-3-pyrazolyl]-1,4,5-oxathiazepane 4,4-dioxide IUPAC Name: 5-[1-(6-methoxypyridin-3-yl)-5-phenylpyrazol-3-yl]-1,4,5-oxathiazepane 4,4-dioxide Traditional Name: 5-[1-(6-methoxy-3-pyridyl)-5-phenyl-pyrazol-3-yl]-1,4,5-oxathiazepane 4,4-dioxide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-26-19-8-7-16(14-20-19)23-17(15-5-3-2-4-6-15)13-18(21-23)22-9-10-27-11-12-28(22,24)25/h2-8,13-14H,9-12H2,1H3