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

Systemtic Name: 2-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-6-(2-methylpropyl)pyridine-3-carbonitrile Openeye Name: 2-[1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-6-isobutyl-pyridine-3-carbonitrile CAS Name: 2-[[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-6-(2-methylpropyl)-3-pyridinecarbonitrile IUPAC Name: 2-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-(2-methylpropyl)pyridine-3-carbonitrile Traditional Name: 2-[[1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]thio]-6-isobutyl-nicotinonitrile Formula: C20H18BrN3O2S MolecularWeight: 444.34482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18BrN3O2S/c1-12(2)9-15-6-3-13(11-22)19(23-15)27-17-10-18(25)24(20(17)26)16-7-4-14(21)5-8-16/h3-8,12,17H,9-10H2,1-2H3