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

Systemtic Name: 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[(1,3-dioxo-2-isoindolyl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-(phthalimidomethylthio)nicotinonitrile Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O2S/c1-10-7-11(2)19-15(14(10)8-18)23-9-20-16(21)12-5-3-4-6-13(12)17(20)22/h3-7H,9H2,1-2H3