2-[1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-6-(2-methylpropyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-6-(2-methylpropyl)pyridin-1-ium-3-carbonitrile Openeye Name: 6-isobutyl-2-[1-(4-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[[1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-6-(2-methylpropyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-(2-methylpropyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-[[2,5-diketo-1-(4-methoxyphenyl)pyrrolidin-3-yl]thio]-6-isobutyl-pyridin-1-ium-3-carbonitrile Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[NH+]C(=C(C=C1)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CC1=[NH+]C(=C(C=C1)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21N3O3S/c1-13(2)10-15-5-4-14(12-22)20(23-15)28-18-11-19(25)24(21(18)26)16-6-8-17(27-3)9-7-16/h4-9,13,18H,10-11H2,1-3H3/p+1