2-[1-(6-methoxypyridin-3-yl)-5-phenyl-pyrazol-3-yl]-1,2,5-thiadiazepane 1,1-dioxide

Systemtic Name: 2-[1-(6-methoxypyridin-3-yl)-5-phenyl-pyrazol-3-yl]-1,2,5-thiadiazepane 1,1-dioxide Openeye Name: 2-[1-(6-methoxy-3-pyridyl)-5-phenyl-pyrazol-3-yl]-1,2,5-thiadiazepane 1,1-dioxide CAS Name: 2-[1-(6-methoxy-3-pyridinyl)-5-phenyl-3-pyrazolyl]-1,2,5-thiadiazepane 1,1-dioxide IUPAC Name: 2-[1-(6-methoxypyridin-3-yl)-5-phenylpyrazol-3-yl]-1,2,5-thiadiazepane 1,1-dioxide Traditional Name: 2-[1-(6-methoxy-3-pyridyl)-5-phenyl-pyrazol-3-yl]-1,2,5-thiadiazepane 1,1-dioxide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)N2C(=CC(=N2)N3CCNCCS3(=O)=O)C4=CC=CC=C4

Isomeric SMILES

COC1=NC=C(C=C1)N2C(=CC(=N2)N3CCNCCS3(=O)=O)C4=CC=CC=C4

InChI

InChI=1S/C19H21N5O3S/c1-27-19-8-7-16(14-21-19)24-17(15-5-3-2-4-6-15)13-18(22-24)23-11-9-20-10-12-28(23,25)26/h2-8,13-14,20H,9-12H2,1H3