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

Systemtic Name: 2-[1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-6-propyl-pyridine-3-carbonitrile Openeye Name: 2-[1-(4-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-6-propyl-pyridine-3-carbonitrile CAS Name: 2-[[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-6-propyl-3-pyridinecarbonitrile IUPAC Name: 2-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-propylpyridine-3-carbonitrile Traditional Name: 2-[(2,5-diketo-1-p-phenetyl-pyrrolidin-3-yl)thio]-6-propyl-nicotinonitrile Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H21N3O3S/c1-3-5-15-7-6-14(13-22)20(23-15)28-18-12-19(25)24(21(18)26)16-8-10-17(11-9-16)27-4-2/h6-11,18H,3-5,12H2,1-2H3