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

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-phenylsulfanyl-propanamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-2-phenylsulfanyl-propanamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-2-(phenylthio)propanamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-2-phenylsulfanylpropanamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]-2-(phenylthio)propionamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=NN1C2CCS(=O)(=O)C2)C(C)(C)C)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=NN1C2CCS(=O)(=O)C2)C(C)(C)C)SC3=CC=CC=C3

InChI

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