N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-(6-chlorothiochroman-4-yl)-1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(6-ethoxy-3-pyridazinyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxamide Traditional Name: N-(6-chlorothiochroman-4-yl)-1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxamide Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl)C

Isomeric SMILES

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl)C

InChI

InChI=1S/C20H20ClN5O2S/c1-3-28-19-7-6-18(24-25-19)26-12(2)15(11-22-26)20(27)23-16-8-9-29-17-5-4-13(21)10-14(16)17/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,23,27)