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

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]acetamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]acetamide Traditional Name: 2-(benzylthio)-N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]acetamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSCC2=CC=CC=C2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSCC2=CC=CC=C2)C3CCS(=O)(=O)C3

InChI

InChI=1S/C20H27N3O3S2/c1-20(2,3)17-11-18(23(22-17)16-9-10-28(25,26)14-16)21-19(24)13-27-12-15-7-5-4-6-8-15/h4-8,11,16H,9-10,12-14H2,1-3H3,(H,21,24)