2-azanyl-6-phenacylsulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-phenacylsulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-phenacylsulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(phenacylthio)-4-phenylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-phenacylsulfanyl-4-phenylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(phenacylthio)-4-phenyl-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=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=CC=C3)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=CC=C3)N)C#N

InChI

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