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

Systemtic Name: 5-[1-(6-methylpyridin-3-yl)-5-phenyl-pyrazol-3-yl]-1,4,5-oxathiazepane 4,4-dioxide Openeye Name: 5-[1-(6-methyl-3-pyridyl)-5-phenyl-pyrazol-3-yl]-1,4,5-oxathiazepane 4,4-dioxide CAS Name: 5-[1-(6-methyl-3-pyridinyl)-5-phenyl-3-pyrazolyl]-1,4,5-oxathiazepane 4,4-dioxide IUPAC Name: 5-[1-(6-methylpyridin-3-yl)-5-phenylpyrazol-3-yl]-1,4,5-oxathiazepane 4,4-dioxide Traditional Name: 5-[1-(6-methyl-3-pyridyl)-5-phenyl-pyrazol-3-yl]-1,4,5-oxathiazepane 4,4-dioxide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)N2C(=CC(=N2)N3CCOCCS3(=O)=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(C=C1)N2C(=CC(=N2)N3CCOCCS3(=O)=O)C4=CC=CC=C4

InChI

InChI=1S/C19H20N4O3S/c1-15-7-8-17(14-20-15)23-18(16-5-3-2-4-6-16)13-19(21-23)22-9-10-26-11-12-27(22,24)25/h2-8,13-14H,9-12H2,1H3