2-[1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-6-(2-methylpropyl)pyridine-3-carbonitrile

Systemtic Name: 2-[1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-6-(2-methylpropyl)pyridine-3-carbonitrile Openeye Name: 2-[1-(4-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-6-isobutyl-pyridine-3-carbonitrile CAS Name: 2-[[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-6-(2-methylpropyl)-3-pyridinecarbonitrile IUPAC Name: 2-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-(2-methylpropyl)pyridine-3-carbonitrile Traditional Name: 2-[(2,5-diketo-1-p-phenetyl-pyrrolidin-3-yl)thio]-6-isobutyl-nicotinonitrile Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC(=N3)CC(C)C)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC(=N3)CC(C)C)C#N

InChI

InChI=1S/C22H23N3O3S/c1-4-28-18-9-7-17(8-10-18)25-20(26)12-19(22(25)27)29-21-15(13-23)5-6-16(24-21)11-14(2)3/h5-10,14,19H,4,11-12H2,1-3H3