ethyl 5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H22FN3O3S MolecularWeight: 463.523883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H22FN3O3S/c1-4-32-25(31)21-14(2)22(27-15(21)3)20(30)13-33-24-19-8-6-5-7-18(19)23(28-29-24)16-9-11-17(26)12-10-16/h5-12,27H,4,13H2,1-3H3