N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]-N-methyl-quinoline-2-carboxamide

Systemtic Name: N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]-N-methyl-quinoline-2-carboxamide Openeye Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-N-methyl-quinoline-2-carboxamide CAS Name: N-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methyl]-N-methyl-2-quinolinecarboxamide IUPAC Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methylquinoline-2-carboxamide Traditional Name: N-[[1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-N-methyl-quinaldamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H24N4O3S/c1-14-18(15(2)25(23-14)17-10-11-29(27,28)13-17)12-24(3)21(26)20-9-8-16-6-4-5-7-19(16)22-20/h4-9,17H,10-13H2,1-3H3