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

Systemtic Name: 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[(1,3-dioxo-2-isoindolyl)methylthio]-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile Traditional Name: 4-(methoxymethyl)-6-methyl-2-(phthalimidomethylthio)nicotinonitrile Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H15N3O3S/c1-11-7-12(9-24-2)15(8-19)16(20-11)25-10-21-17(22)13-5-3-4-6-14(13)18(21)23/h3-7H,9-10H2,1-2H3