2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[2-(1,3-dioxo-2-isoindolyl)ethylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-(2-phthalimidoethylthio)nicotinonitrile Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C18H15N3O2S/c1-11-9-12(2)20-16(15(11)10-19)24-8-7-21-17(22)13-5-3-4-6-14(13)18(21)23/h3-6,9H,7-8H2,1-2H3