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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC2=CC(=NN2[C@H]3CCS(=O)(=O)C3)C(C)(C)C)C

InChI

InChI=1S/C20H27N3O3S/c1-13-8-14(2)10-15(9-13)19(24)21-18-11-17(20(3,4)5)22-23(18)16-6-7-27(25,26)12-16/h8-11,16H,6-7,12H2,1-5H3,(H,21,24)/t16-/m0/s1