4-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]thiomorpholin-4-ium

Systemtic Name: 4-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]thiomorpholin-4-ium Openeye Name: 4-[[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)pyrazol-4-yl]methyl]thiomorpholin-4-ium CAS Name: 4-[[1-(3-fluorophenyl)-3-(5-methyl-2-furanyl)-4-pyrazolyl]methyl]thiomorpholin-4-ium IUPAC Name: 4-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]thiomorpholin-4-ium Traditional Name: 4-[[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)pyrazol-4-yl]methyl]thiomorpholin-4-ium Formula: C19H21FN3OS+ MolecularWeight: 358.452943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C[NH+]3CCSCC3)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C[NH+]3CCSCC3)C4=CC(=CC=C4)F

InChI

InChI=1S/C19H20FN3OS/c1-14-5-6-18(24-14)19-15(12-22-7-9-25-10-8-22)13-23(21-19)17-4-2-3-16(20)11-17/h2-6,11,13H,7-10,12H2,1H3/p+1