4-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]thiomorpholin-4-ium

Systemtic Name: 4-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]thiomorpholin-4-ium Openeye Name: 4-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]thiomorpholin-4-ium CAS Name: 4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]thiomorpholin-4-ium IUPAC Name: 4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]thiomorpholin-4-ium Traditional Name: 4-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]thiomorpholin-4-ium Formula: C21H23FN3OS+ MolecularWeight: 384.490223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH+]3CCSCC3)C4=CC=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH+]3CCSCC3)C4=CC=CC=C4)F

InChI

InChI=1S/C21H22FN3OS/c1-26-18-7-8-19(20(22)13-18)21-16(14-24-9-11-27-12-10-24)15-25(23-21)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3/p+1