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

Systemtic Name: 2-azanyl-6-[(3S)-1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[(3S)-1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-4-phenylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[(3S)-2,5-diketo-1-p-phenetyl-pyrrolidin-3-yl]thio]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C25H20N5O3S+ MolecularWeight: 470.523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C(=C(C(=[NH+]3)N)C#N)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)SC3=C(C(=C(C(=[NH+]3)N)C#N)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H19N5O3S/c1-2-33-17-10-8-16(9-11-17)30-21(31)12-20(25(30)32)34-24-19(14-27)22(15-6-4-3-5-7-15)18(13-26)23(28)29-24/h3-11,20H,2,12H2,1H3,(H2,28,29)/p+1/t20-/m0/s1