butyl 6-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-indole-2-carboxylate

Systemtic Name: butyl 6-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-indole-2-carboxylate Openeye Name: butyl 6-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-indole-2-carboxylate CAS Name: 6-(4-fluorophenyl)-3-[4-(methylthio)phenyl]-1H-indole-2-carboxylic acid butyl ester IUPAC Name: butyl 6-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-indole-2-carboxylate Traditional Name: 6-(4-fluorophenyl)-3-[4-(methylthio)phenyl]-1H-indole-2-carboxylic acid butyl ester Formula: C26H24FNO2S MolecularWeight: 433.537663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C2=C(N1)C=C(C=C2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)SC

Isomeric SMILES

CCCCOC(=O)C1=C(C2=C(N1)C=C(C=C2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)SC

InChI

InChI=1S/C26H24FNO2S/c1-3-4-15-30-26(29)25-24(18-7-12-21(31-2)13-8-18)22-14-9-19(16-23(22)28-25)17-5-10-20(27)11-6-17/h5-14,16,28H,3-4,15H2,1-2H3