1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-[[(4-fluorophenyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-[[(4-fluorophenyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-[(4-fluoroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-[(4-fluoroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-[(4-fluoroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-[(4-fluoroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H22FN5OS MolecularWeight: 411.495683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCCC3=CC=CC=C32)CNC4=CC=C(C=C4)F

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCCC3=CC=CC=C32)CNC4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN5OS/c1-26-19(13-23-17-10-8-16(22)9-11-17)24-25-21(26)29-14-20(28)27-12-4-6-15-5-2-3-7-18(15)27/h2-3,5,7-11,23H,4,6,12-14H2,1H3