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

Systemtic Name: 2-azanyl-6-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-(4-phenylphenyl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C21H15N4OS+ MolecularWeight: 371.435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C21H14N4OS/c22-11-17-10-18(12-23)21(25-20(17)24)27-13-19(26)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10H,13H2,(H2,24,25)/p+1