N-(2-cyclopentylsulfanylphenyl)-5-methyl-1-(6-oxidanylidene-1H-pyridazin-3-yl)pyrazole-4-carboxamide

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-5-methyl-1-(6-oxidanylidene-1H-pyridazin-3-yl)pyrazole-4-carboxamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide CAS Name: N-[2-(cyclopentylthio)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-4-pyrazolecarboxamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-1-(6-keto-1H-pyridazin-3-yl)-5-methyl-pyrazole-4-carboxamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)NC3=CC=CC=C3SC4CCCC4

Isomeric SMILES

CC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)NC3=CC=CC=C3SC4CCCC4

InChI

InChI=1S/C20H21N5O2S/c1-13-15(12-21-25(13)18-10-11-19(26)24-23-18)20(27)22-16-8-4-5-9-17(16)28-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,22,27)(H,24,26)