N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-3,5-dimethyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3CCS(=O)(=O)C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C16H19N3O3S/c1-11-15(16(20)17-13-8-9-23(21,22)10-13)12(2)19(18-11)14-6-4-3-5-7-14/h3-7,13H,8-10H2,1-2H3,(H,17,20)/t13-/m0/s1