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

Systemtic Name: 2-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]thio]-4,6-dimethyl-nicotinonitrile Formula: C18H14BrN3O2S MolecularWeight: 416.29166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H14BrN3O2S/c1-10-7-11(2)21-17(14(10)9-20)25-15-8-16(23)22(18(15)24)13-5-3-12(19)4-6-13/h3-7,15H,8H2,1-2H3