N-[[7-fluoranyl-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine

Systemtic Name: N-[[7-fluoranyl-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine Openeye Name: N-[[7-fluoro-2-(2-phenylsulfanylethoxy)-3-quinolyl]methyl]-1-(3-methylisoxazol-5-yl)methanamine CAS Name: N-[[7-fluoro-2-[2-(phenylthio)ethoxy]-3-quinolinyl]methyl]-1-(3-methyl-5-isoxazolyl)methanamine IUPAC Name: N-[[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine Traditional Name: [7-fluoro-2-[2-(phenylthio)ethoxy]-3-quinolyl]methyl-[(3-methylisoxazol-5-yl)methyl]amine Formula: C23H22FN3O2S MolecularWeight: 423.503083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CNCC2=C(N=C3C=C(C=CC3=C2)F)OCCSC4=CC=CC=C4

Isomeric SMILES

CC1=NOC(=C1)CNCC2=C(N=C3C=C(C=CC3=C2)F)OCCSC4=CC=CC=C4

InChI

InChI=1S/C23H22FN3O2S/c1-16-11-20(29-27-16)15-25-14-18-12-17-7-8-19(24)13-22(17)26-23(18)28-9-10-30-21-5-3-2-4-6-21/h2-8,11-13,25H,9-10,14-15H2,1H3