2-azanyl-6-[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C19H18N5OS+ MolecularWeight: 364.44412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)SC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C19H17N5OS/c20-11-14-10-15(12-21)18(23-17(14)22)26-16(13-6-2-1-3-7-13)19(25)24-8-4-5-9-24/h1-3,6-7,10,16H,4-5,8-9H2,(H2,22,23)/p+1/t16-/m1/s1