2-azanyl-6-[(3S)-1-(4-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-4-propan-2-yl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(3S)-1-(4-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-4-propan-2-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(3S)-2,5-dioxo-1-(p-tolyl)pyrrolidin-3-yl]sulfanyl-4-isopropyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[(3S)-1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-4-propan-2-ylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-propan-2-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[(3S)-2,5-diketo-1-(p-tolyl)pyrrolidin-3-yl]thio]-4-isopropyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C21H20N5O2S+ MolecularWeight: 406.4808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C(=C(C(=[NH+]3)N)C#N)C(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)SC3=C(C(=C(C(=[NH+]3)N)C#N)C(C)C)C#N

InChI

InChI=1S/C21H19N5O2S/c1-11(2)18-14(9-22)19(24)25-20(15(18)10-23)29-16-8-17(27)26(21(16)28)13-6-4-12(3)5-7-13/h4-7,11,16H,8H2,1-3H3,(H2,24,25)/p+1/t16-/m0/s1