N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-(4-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-(4-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-2-(p-tolylsulfanyl)acetamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-2-[(4-methylphenyl)thio]acetamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]-2-(p-tolylthio)acetamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S2/c1-14-5-7-16(8-6-14)27-12-19(24)21-18-11-17(20(2,3)4)22-23(18)15-9-10-28(25,26)13-15/h5-8,11,15H,9-10,12-13H2,1-4H3,(H,21,24)