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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(3-methoxyphenyl)-N-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)-N-methyl-pyrazole-4-carboxamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-3-(3-methoxyphenyl)-N-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(1,1-diketothiolan-3-yl)-3-(3-methoxyphenyl)-N-methyl-pyrazole-4-carboxamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c1-25(19-11-12-31(28,29)16-19)23(27)21-15-26(14-17-7-4-3-5-8-17)24-22(21)18-9-6-10-20(13-18)30-2/h3-10,13,15,19H,11-12,14,16H2,1-2H3