2-[1-(6-methoxypyridin-3-yl)-5-pyridin-2-yl-pyrazol-3-yl]-5-methyl-1,1-bis(oxidanylidene)-1,2,5-thiadiazepan-4-one

Systemtic Name: 2-[1-(6-methoxypyridin-3-yl)-5-pyridin-2-yl-pyrazol-3-yl]-5-methyl-1,1-bis(oxidanylidene)-1,2,5-thiadiazepan-4-one Openeye Name: 2-[1-(6-methoxy-3-pyridyl)-5-(2-pyridyl)pyrazol-3-yl]-5-methyl-1,1-dioxo-1,2,5-thiadiazepan-4-one CAS Name: 2-[1-(6-methoxy-3-pyridinyl)-5-(2-pyridinyl)-3-pyrazolyl]-5-methyl-1,1-dioxo-1,2,5-thiadiazepan-4-one IUPAC Name: 2-[1-(6-methoxypyridin-3-yl)-5-pyridin-2-ylpyrazol-3-yl]-5-methyl-1,1-dioxo-1,2,5-thiadiazepan-4-one Traditional Name: 1,1-diketo-2-[1-(6-methoxy-3-pyridyl)-5-(2-pyridyl)pyrazol-3-yl]-5-methyl-1,2,5-thiadiazepan-4-one Formula: C19H20N6O4S MolecularWeight: 428.4649

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCS(=O)(=O)N(CC1=O)C2=NN(C(=C2)C3=CC=CC=N3)C4=CN=C(C=C4)OC

Isomeric SMILES

CN1CCS(=O)(=O)N(CC1=O)C2=NN(C(=C2)C3=CC=CC=N3)C4=CN=C(C=C4)OC

InChI

InChI=1S/C19H20N6O4S/c1-23-9-10-30(27,28)24(13-19(23)26)17-11-16(15-5-3-4-8-20-15)25(22-17)14-6-7-18(29-2)21-12-14/h3-8,11-12H,9-10,13H2,1-2H3