2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-6-propan-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-6-propan-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)propylsulfanyl]-6-isopropyl-pyridine-3-carbonitrile CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)propylthio]-6-propan-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-6-propan-2-ylpyridine-3-carbonitrile Traditional Name: 6-isopropyl-2-(3-phthalimidopropylthio)nicotinonitrile Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(C=C1)C#N)SCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)C1=NC(=C(C=C1)C#N)SCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H19N3O2S/c1-13(2)17-9-8-14(12-21)18(22-17)26-11-5-10-23-19(24)15-6-3-4-7-16(15)20(23)25/h3-4,6-9,13H,5,10-11H2,1-2H3