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

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[3-(1,3-dioxoisoindolin-2-yl)propylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[3-(1,3-dioxo-2-isoindolyl)propylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-(3-phthalimidopropylthio)nicotinonitrile Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCCCN2C(=O)C3=CC=CC=C3C2=O)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCCCN2C(=O)C3=CC=CC=C3C2=O)C#N)C(=O)C

InChI

InChI=1S/C20H17N3O3S/c1-12-17(13(2)24)10-14(11-21)18(22-12)27-9-5-8-23-19(25)15-6-3-4-7-16(15)20(23)26/h3-4,6-7,10H,5,8-9H2,1-2H3