N-[(4-chlorophenyl)methyl]-8-fluoranyl-6-(3-methylsulfanylprop-1-ynyl)-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-fluoranyl-6-(3-methylsulfanylprop-1-ynyl)-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-(3-methylsulfanylprop-1-ynyl)-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-[3-(methylthio)prop-1-ynyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-(3-methylsulfanylprop-1-ynyl)-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-fluoro-4-keto-6-[3-(methylthio)prop-1-ynyl]-1H-quinoline-3-carboxamide Formula: C21H16ClFN2O2S MolecularWeight: 414.880343

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Descriptors Computed from Structure

Canonical SMILES:

CSCC#CC1=CC2=C(C(=C1)F)NC=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CSCC#CC1=CC2=C(C(=C1)F)NC=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H16ClFN2O2S/c1-28-8-2-3-14-9-16-19(18(23)10-14)24-12-17(20(16)26)21(27)25-11-13-4-6-15(22)7-5-13/h4-7,9-10,12H,8,11H2,1H3,(H,24,26)(H,25,27)