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

Systemtic Name: 2-azanyl-6-[(3S)-1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-4-(4-methylphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(3S)-1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-4-(p-tolyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[(3S)-1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-4-(4-methylphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-(4-methylphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[(3S)-1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]thio]-4-(p-tolyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C24H17BrN5O2S+ MolecularWeight: 519.39308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)Br)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)S[C@H]3CC(=O)N(C3=O)C4=CC=C(C=C4)Br)N)C#N

InChI

InChI=1S/C24H16BrN5O2S/c1-13-2-4-14(5-3-13)21-17(11-26)22(28)29-23(18(21)12-27)33-19-10-20(31)30(24(19)32)16-8-6-15(25)7-9-16/h2-9,19H,10H2,1H3,(H2,28,29)/p+1/t19-/m0/s1