N-[1,1-bis(oxidanylidene)thiolan-3-yl]-7-chloranyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-7-chloranyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide Openeye Name: 7-chloro-N-(1,1-dioxothiolan-3-yl)-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide CAS Name: 7-chloro-N-(1,1-dioxo-3-thiolanyl)-2-(1H-pyrazol-4-yl)-4-quinolinecarboxamide IUPAC Name: 7-chloro-N-(1,1-dioxothiolan-3-yl)-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide Traditional Name: 7-chloro-N-(1,1-diketothiolan-3-yl)-2-(1H-pyrazol-4-yl)cinchoninamide Formula: C17H15ClN4O3S MolecularWeight: 390.844

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C2=CC(=NC3=C2C=CC(=C3)Cl)C4=CNN=C4

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)C2=CC(=NC3=C2C=CC(=C3)Cl)C4=CNN=C4

InChI

InChI=1S/C17H15ClN4O3S/c18-11-1-2-13-14(17(23)21-12-3-4-26(24,25)9-12)6-15(22-16(13)5-11)10-7-19-20-8-10/h1-2,5-8,12H,3-4,9H2,(H,19,20)(H,21,23)