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

Systemtic Name: N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-4-methyl-benzamide Openeye Name: N-[5-tert-butyl-2-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]-4-methyl-benzamide CAS Name: N-[5-tert-butyl-2-[(3S)-1,1-dioxo-3-thiolanyl]-3-pyrazolyl]-4-methylbenzamide IUPAC Name: N-[5-tert-butyl-2-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]-4-methylbenzamide Traditional Name: N-[5-tert-butyl-2-[(3S)-1,1-diketothiolan-3-yl]pyrazol-3-yl]-4-methyl-benzamide Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-13-5-7-14(8-6-13)18(23)20-17-11-16(19(2,3)4)21-22(17)15-9-10-26(24,25)12-15/h5-8,11,15H,9-10,12H2,1-4H3,(H,20,23)/t15-/m0/s1