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

Systemtic Name: N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-4-chloranyl-benzamide Openeye Name: N-[5-tert-butyl-2-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]-4-chloro-benzamide CAS Name: N-[5-tert-butyl-2-[(3S)-1,1-dioxo-3-thiolanyl]-3-pyrazolyl]-4-chlorobenzamide IUPAC Name: N-[5-tert-butyl-2-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]-4-chlorobenzamide Traditional Name: N-[5-tert-butyl-2-[(3S)-1,1-diketothiolan-3-yl]pyrazol-3-yl]-4-chloro-benzamide Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)Cl)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C18H22ClN3O3S/c1-18(2,3)15-10-16(20-17(23)12-4-6-13(19)7-5-12)22(21-15)14-8-9-26(24,25)11-14/h4-7,10,14H,8-9,11H2,1-3H3,(H,20,23)/t14-/m0/s1