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

Systemtic Name: 2-azanyl-6-[(3R)-1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(3R)-1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[(3R)-1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-4-phenylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[(3R)-1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]thio]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C23H15BrN5O2S+ MolecularWeight: 505.3665

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)SC3=C(C(=C(C(=[NH+]3)N)C#N)C4=CC=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H14BrN5O2S/c24-14-6-8-15(9-7-14)29-19(30)10-18(23(29)31)32-22-17(12-26)20(13-4-2-1-3-5-13)16(11-25)21(27)28-22/h1-9,18H,10H2,(H2,27,28)/p+1/t18-/m1/s1