N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazol-3-yl]-2,5-dimethyl-furan-3-carboxamide

Systemtic Name: N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazol-3-yl]-2,5-dimethyl-furan-3-carboxamide Openeye Name: N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-pyrazol-3-yl]-2,5-dimethyl-furan-3-carboxamide CAS Name: N-[2-[(3S)-1,1-dioxo-3-thiolanyl]-5-phenyl-3-pyrazolyl]-2,5-dimethyl-3-furancarboxamide IUPAC Name: N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-phenylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide Traditional Name: N-[2-[(3S)-1,1-diketothiolan-3-yl]-5-phenyl-pyrazol-3-yl]-2,5-dimethyl-3-furamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)NC2=CC(=NN2[C@H]3CCS(=O)(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O4S/c1-13-10-17(14(2)27-13)20(24)21-19-11-18(15-6-4-3-5-7-15)22-23(19)16-8-9-28(25,26)12-16/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,21,24)/t16-/m0/s1