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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O2S/c1-2-3-4-15-8-5-13(12-22)19(23-15)27-17-11-18(25)24(20(17)26)16-9-6-14(21)7-10-16/h5-10,17H,2-4,11H2,1H3