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

Systemtic Name: 2-[1-(4-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-6-(2-methylpropyl)pyridine-3-carbonitrile Openeye Name: 2-[2,5-dioxo-1-(p-tolyl)pyrrolidin-3-yl]sulfanyl-6-isobutyl-pyridine-3-carbonitrile CAS Name: 2-[[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-6-(2-methylpropyl)-3-pyridinecarbonitrile IUPAC Name: 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-(2-methylpropyl)pyridine-3-carbonitrile Traditional Name: 2-[[2,5-diketo-1-(p-tolyl)pyrrolidin-3-yl]thio]-6-isobutyl-nicotinonitrile Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC(=N3)CC(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC(=N3)CC(C)C)C#N

InChI

InChI=1S/C21H21N3O2S/c1-13(2)10-16-7-6-15(12-22)20(23-16)27-18-11-19(25)24(21(18)26)17-8-4-14(3)5-9-17/h4-9,13,18H,10-11H2,1-3H3