4-[[5-(4-ethylphenyl)-1-(4-fluorophenyl)-2-methyl-pyrrol-3-yl]methyl]thiomorpholine

Systemtic Name: 4-[[5-(4-ethylphenyl)-1-(4-fluorophenyl)-2-methyl-pyrrol-3-yl]methyl]thiomorpholine Openeye Name: 4-[[5-(4-ethylphenyl)-1-(4-fluorophenyl)-2-methyl-pyrrol-3-yl]methyl]thiomorpholine CAS Name: 4-[[5-(4-ethylphenyl)-1-(4-fluorophenyl)-2-methyl-3-pyrrolyl]methyl]thiomorpholine IUPAC Name: 4-[[5-(4-ethylphenyl)-1-(4-fluorophenyl)-2-methylpyrrol-3-yl]methyl]thiomorpholine Traditional Name: 4-[[5-(4-ethylphenyl)-1-(4-fluorophenyl)-2-methyl-pyrrol-3-yl]methyl]thiomorpholine Formula: C24H27FN2S MolecularWeight: 394.547983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=C(N2C3=CC=C(C=C3)F)C)CN4CCSCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=C(N2C3=CC=C(C=C3)F)C)CN4CCSCC4

InChI

InChI=1S/C24H27FN2S/c1-3-19-4-6-20(7-5-19)24-16-21(17-26-12-14-28-15-13-26)18(2)27(24)23-10-8-22(25)9-11-23/h4-11,16H,3,12-15,17H2,1-2H3