2-[4-[5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]but-2-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]but-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-[5-(4-methylsulfonyl-3-pyrrol-1-yl-2-thienyl)-2-oxo-1,3,4-oxadiazol-3-yl]but-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-[5-[4-methylsulfonyl-3-(1-pyrrolyl)-2-thiophenyl]-2-oxo-1,3,4-oxadiazol-3-yl]but-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-[5-(4-methylsulfonyl-3-pyrrol-1-ylthiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]but-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-[2-keto-5-(4-mesyl-3-pyrrol-1-yl-2-thienyl)-1,3,4-oxadiazol-3-yl]but-2-ynyl]isoindoline-1,3-quinone Formula: C23H16N4O6S2 MolecularWeight: 508.52634

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CSC(=C1N2C=CC=C2)C3=NN(C(=O)O3)CC#CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CS(=O)(=O)C1=CSC(=C1N2C=CC=C2)C3=NN(C(=O)O3)CC#CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H16N4O6S2/c1-35(31,32)17-14-34-19(18(17)25-10-4-5-11-25)20-24-27(23(30)33-20)13-7-6-12-26-21(28)15-8-2-3-9-16(15)22(26)29/h2-5,8-11,14H,12-13H2,1H3