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

Systemtic Name: 6-butyl-2-[1-(1H-indol-6-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-butyl-2-[1-(1H-indol-6-yl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-butyl-2-[[1-(1H-indol-6-yl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-butyl-2-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile Traditional Name: 6-butyl-2-[[1-(1H-indol-6-yl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinonitrile Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC2CC(=O)N(C2=O)C3=CC4=C(C=C3)C=CN4

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC2CC(=O)N(C2=O)C3=CC4=C(C=C3)C=CN4

InChI

InChI=1S/C22H20N4O2S/c1-2-3-4-16-7-5-15(13-23)21(25-16)29-19-12-20(27)26(22(19)28)17-8-6-14-9-10-24-18(14)11-17/h5-11,19,24H,2-4,12H2,1H3