2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[(1,3-dioxo-2-isoindolyl)methylthio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-2-(phthalimidomethylthio)nicotinonitrile Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C18H15N3O2S/c1-10-11(2)15(8-19)16(20-12(10)3)24-9-21-17(22)13-6-4-5-7-14(13)18(21)23/h4-7H,9H2,1-3H3