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

Systemtic Name: N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-4-ethyl-benzamide Openeye Name: N-[5-tert-butyl-2-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]-4-ethyl-benzamide CAS Name: N-[5-tert-butyl-2-[(3S)-1,1-dioxo-3-thiolanyl]-3-pyrazolyl]-4-ethylbenzamide IUPAC Name: N-[5-tert-butyl-2-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]-4-ethylbenzamide Traditional Name: N-[5-tert-butyl-2-[(3S)-1,1-diketothiolan-3-yl]pyrazol-3-yl]-4-ethyl-benzamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC2=CC(=NN2[C@H]3CCS(=O)(=O)C3)C(C)(C)C

InChI

InChI=1S/C20H27N3O3S/c1-5-14-6-8-15(9-7-14)19(24)21-18-12-17(20(2,3)4)22-23(18)16-10-11-27(25,26)13-16/h6-9,12,16H,5,10-11,13H2,1-4H3,(H,21,24)/t16-/m0/s1