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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CCSC2=CC=CC=C2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CCSC2=CC=CC=C2)C3CCS(=O)(=O)C3

InChI

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