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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC

InChI

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