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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methyl-1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(3S)-1,1-diketothiolan-3-yl]-N-methyl-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S/c1-24(18-9-11-29(27,28)15-18)21(26)19-14-25(13-16-6-3-2-4-7-16)23-20(19)17-8-5-10-22-12-17/h2-8,10,12,14,18H,9,11,13,15H2,1H3/t18-/m0/s1