2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile Openeye Name: 6-cyclopropyl-2-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfanyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile CAS Name: 6-cyclopropyl-2-[2-(1,3-dioxo-2-isoindolyl)ethylthio]-4-(4-methoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 6-cyclopropyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile Traditional Name: 6-cyclopropyl-4-(4-methoxyphenyl)-2-(2-phthalimidoethylthio)nicotinonitrile Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCN3C(=O)C4=CC=CC=C4C3=O)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCN3C(=O)C4=CC=CC=C4C3=O)C5CC5

InChI

InChI=1S/C26H21N3O3S/c1-32-18-10-8-16(9-11-18)21-14-23(17-6-7-17)28-24(22(21)15-27)33-13-12-29-25(30)19-4-2-3-5-20(19)26(29)31/h2-5,8-11,14,17H,6-7,12-13H2,1H3