N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-4-(2-methylpropyl)benzamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-4-(2-methylpropyl)benzamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-4-isobutyl-benzamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-4-(2-methylpropyl)benzamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-4-(2-methylpropyl)benzamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]-4-isobutyl-benzamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C(C)(C)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C(C)(C)C

InChI

InChI=1S/C22H31N3O3S/c1-15(2)12-16-6-8-17(9-7-16)21(26)23-20-13-19(22(3,4)5)24-25(20)18-10-11-29(27,28)14-18/h6-9,13,15,18H,10-12,14H2,1-5H3,(H,23,26)