(3Z)-4-oxidanylidene-2-[3-(phenylmethyl)pyridin-1-ium-1-yl]-3-thiophen-2-ylsulfonylimino-naphthalen-1-olate

Systemtic Name: (3Z)-4-oxidanylidene-2-[3-(phenylmethyl)pyridin-1-ium-1-yl]-3-thiophen-2-ylsulfonylimino-naphthalen-1-olate Openeye Name: (3Z)-2-(3-benzylpyridin-1-ium-1-yl)-4-oxo-3-(2-thienylsulfonylimino)naphthalen-1-olate CAS Name: (3Z)-4-oxo-2-[3-(phenylmethyl)-1-pyridin-1-iumyl]-3-thiophen-2-ylsulfonylimino-1-naphthalenolate IUPAC Name: (3Z)-2-(3-benzylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate Traditional Name: (3Z)-2-(3-benzylpyridin-1-ium-1-yl)-4-keto-3-(2-thienylsulfonylimino)naphthalen-1-olate Formula: C26H18N2O4S2 MolecularWeight: 486.56212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)C3=C(C4=CC=CC=C4C(=O)C3=NS(=O)(=O)C5=CC=CS5)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)C\3=C(C4=CC=CC=C4C(=O)/C3=N\S(=O)(=O)C5=CC=CS5)[O-]

InChI

InChI=1S/C26H18N2O4S2/c29-25-20-11-4-5-12-21(20)26(30)24(23(25)27-34(31,32)22-13-7-15-33-22)28-14-6-10-19(17-28)16-18-8-2-1-3-9-18/h1-15,17H,16H2