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

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)propylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)propylthio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-2-(3-phthalimidopropylthio)nicotinonitrile Formula: C20H19N3O2S MolecularWeight: 365.44876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCCCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCCCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C20H19N3O2S/c1-12-13(2)17(11-21)18(22-14(12)3)26-10-6-9-23-19(24)15-7-4-5-8-16(15)20(23)25/h4-5,7-8H,6,9-10H2,1-3H3