(3Z)-2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxidanylidene-3-thiophen-2-ylsulfonylimino-naphthalen-1-olate

Systemtic Name: (3Z)-2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxidanylidene-3-thiophen-2-ylsulfonylimino-naphthalen-1-olate Openeye Name: (3Z)-2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-(2-thienylsulfonylimino)naphthalen-1-olate CAS Name: (3Z)-2-(3,5-dimethyl-1-pyridin-1-iumyl)-4-oxo-3-thiophen-2-ylsulfonylimino-1-naphthalenolate IUPAC Name: (3Z)-2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate Traditional Name: (3Z)-2-(3,5-dimethylpyridin-1-ium-1-yl)-4-keto-3-(2-thienylsulfonylimino)naphthalen-1-olate Formula: C21H16N2O4S2 MolecularWeight: 424.49274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=C(C3=CC=CC=C3C(=O)C2=NS(=O)(=O)C4=CC=CS4)[O-])C

Isomeric SMILES

CC1=CC(=C[N+](=C1)C\2=C(C3=CC=CC=C3C(=O)/C2=N\S(=O)(=O)C4=CC=CS4)[O-])C

InChI

InChI=1S/C21H16N2O4S2/c1-13-10-14(2)12-23(11-13)19-18(22-29(26,27)17-8-5-9-28-17)20(24)15-6-3-4-7-16(15)21(19)25/h3-12H,1-2H3