N-[5,5-bis(oxidanylidene)-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-butoxy-benzamide

Systemtic Name: N-[5,5-bis(oxidanylidene)-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-butoxy-benzamide Openeye Name: 4-butoxy-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide CAS Name: 4-butoxy-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide IUPAC Name: 4-butoxy-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide Traditional Name: 4-butoxy-N-(5,5-diketo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4S/c1-2-3-13-29-18-11-9-16(10-12-18)22(26)23-21-19-14-30(27,28)15-20(19)24-25(21)17-7-5-4-6-8-17/h4-12H,2-3,13-15H2,1H3,(H,23,26)