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

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[4-(1,3-dioxoisoindolin-2-yl)butylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)butylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[4-(1,3-dioxoisoindol-2-yl)butylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-(4-phthalimidobutylthio)nicotinonitrile Formula: C20H19N3O2S MolecularWeight: 365.44876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCCCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCCCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

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