1-(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C22H22FN5OS MolecularWeight: 423.506383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(N1C(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4)C=CC(=C2)F

Isomeric SMILES

CC1CCC2=C(N1C(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4)C=CC(=C2)F

InChI

InChI=1S/C22H22FN5OS/c1-3-12-27-21(16-8-10-24-11-9-16)25-26-22(27)30-14-20(29)28-15(2)4-5-17-13-18(23)6-7-19(17)28/h3,6-11,13,15H,1,4-5,12,14H2,2H3