6-benzo[e][1]benzofuran-2-yl-2-(2-oxidanylidenepropylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 6-benzo[e][1]benzofuran-2-yl-2-(2-oxidanylidenepropylsulfanyl)pyridine-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-6-benzo[e]benzofuran-2-yl-pyridine-3-carbonitrile CAS Name: 6-(2-benzo[e]benzofuranyl)-2-(2-oxopropylthio)-3-pyridinecarbonitrile IUPAC Name: 6-benzo[e][1]benzofuran-2-yl-2-(2-oxopropylsulfanyl)pyridine-3-carbonitrile Traditional Name: 2-(acetonylthio)-6-benzo[e]benzofuran-2-yl-nicotinonitrile Formula: C21H14N2O2S MolecularWeight: 358.41306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=C(C=CC(=N1)C2=CC3=C(O2)C=CC4=CC=CC=C43)C#N

Isomeric SMILES

CC(=O)CSC1=C(C=CC(=N1)C2=CC3=C(O2)C=CC4=CC=CC=C43)C#N

InChI

InChI=1S/C21H14N2O2S/c1-13(24)12-26-21-15(11-22)6-8-18(23-21)20-10-17-16-5-3-2-4-14(16)7-9-19(17)25-20/h2-10H,12H2,1H3