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

Systemtic Name: 2-azanyl-6-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-4-(4-phenylmethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-benzyloxyphenyl)-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]-4-(4-phenylmethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-(4-phenylmethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-benzoxyphenyl)-6-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C31H21N4O4S+ MolecularWeight: 545.58784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=[NH+]C(=C3C#N)SCC(=O)C4=CC5=CC=CC=C5OC4=O)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=[NH+]C(=C3C#N)SCC(=O)C4=CC5=CC=CC=C5OC4=O)N)C#N

InChI

InChI=1S/C31H20N4O4S/c32-15-24-28(20-10-12-22(13-11-20)38-17-19-6-2-1-3-7-19)25(16-33)30(35-29(24)34)40-18-26(36)23-14-21-8-4-5-9-27(21)39-31(23)37/h1-14H,17-18H2,(H2,34,35)/p+1