2-azanyl-6-methylsulfanyl-4-(4-phenylmethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-methylsulfanyl-4-(4-phenylmethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-benzyloxyphenyl)-6-methylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(methylthio)-4-(4-phenylmethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-methylsulfanyl-4-(4-phenylmethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-benzoxyphenyl)-6-(methylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C21H17N4OS+ MolecularWeight: 373.45088

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H16N4OS/c1-27-21-18(12-23)19(17(11-22)20(24)25-21)15-7-9-16(10-8-15)26-13-14-5-3-2-4-6-14/h2-10H,13H2,1H3,(H2,24,25)/p+1