2-azanyl-4-(2-methylpropyl)-6-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(2-methylpropyl)-6-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-isobutyl-6-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(2-methylpropyl)-6-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(2-methylpropyl)-6-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-isobutyl-6-[[2-keto-2-(4-phenylphenyl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C25H23N4OS+ MolecularWeight: 427.54132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)N)C#N

Isomeric SMILES

CC(C)CC1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)N)C#N

InChI

InChI=1S/C25H22N4OS/c1-16(2)12-20-21(13-26)24(28)29-25(22(20)14-27)31-15-23(30)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16H,12,15H2,1-2H3,(H2,28,29)/p+1