4-[3-[3-(4-methylphenyl)-3-oxidanylidene-1-thiophen-2-yl-propyl]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one

Systemtic Name: 4-[3-[3-(4-methylphenyl)-3-oxidanylidene-1-thiophen-2-yl-propyl]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one Openeye Name: 4-[3-[3-oxo-3-(p-tolyl)-1-(2-thienyl)propyl]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one CAS Name: 4-[3-[3-(4-methylphenyl)-3-oxo-1-thiophen-2-ylpropyl]-1-pyrrolo[2,3-b]pyridinyl]-2-butanone IUPAC Name: 4-[3-[3-(4-methylphenyl)-3-oxo-1-thiophen-2-ylpropyl]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one Traditional Name: 4-[3-[3-keto-3-(p-tolyl)-1-(2-thienyl)propyl]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C2=CC=CS2)C3=CN(C4=C3C=CC=N4)CCC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C2=CC=CS2)C3=CN(C4=C3C=CC=N4)CCC(=O)C

InChI

InChI=1S/C25H24N2O2S/c1-17-7-9-19(10-8-17)23(29)15-21(24-6-4-14-30-24)22-16-27(13-11-18(2)28)25-20(22)5-3-12-26-25/h3-10,12,14,16,21H,11,13,15H2,1-2H3