N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methyl-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(3S)-1,1-diketothiolan-3-yl]-N-methyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S2/c1-22(16-9-11-28(25,26)14-16)20(24)17-13-23(12-15-6-3-2-4-7-15)21-19(17)18-8-5-10-27-18/h2-8,10,13,16H,9,11-12,14H2,1H3/t16-/m0/s1