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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(1,1-dioxothiolan-3-yl)-N-methyl-pyrazole-4-carboxamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(1,1-diketothiolan-3-yl)-N-methyl-pyrazole-4-carboxamide Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C16H19N3O3S/c1-18(15-7-8-23(21,22)12-15)16(20)14-9-17-19(11-14)10-13-5-3-2-4-6-13/h2-6,9,11,15H,7-8,10,12H2,1H3