5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide

Systemtic Name: 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide Openeye Name: 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide CAS Name: 5-ethyl-1-(6-methoxy-3-pyridazinyl)-N-[3-(phenylthio)propyl]-4-pyrazolecarboxamide IUPAC Name: 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide Traditional Name: 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[3-(phenylthio)propyl]pyrazole-4-carboxamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=NN=C(C=C2)OC)C(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C=NN1C2=NN=C(C=C2)OC)C(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C20H23N5O2S/c1-3-17-16(14-22-25(17)18-10-11-19(27-2)24-23-18)20(26)21-12-7-13-28-15-8-5-4-6-9-15/h4-6,8-11,14H,3,7,12-13H2,1-2H3,(H,21,26)