(3Z)-2-(4-tert-butylpyridin-1-ium-1-yl)-4-oxidanylidene-3-thiophen-2-ylsulfonylimino-naphthalen-1-olate

Systemtic Name: (3Z)-2-(4-tert-butylpyridin-1-ium-1-yl)-4-oxidanylidene-3-thiophen-2-ylsulfonylimino-naphthalen-1-olate Openeye Name: (3Z)-2-(4-tert-butylpyridin-1-ium-1-yl)-4-oxo-3-(2-thienylsulfonylimino)naphthalen-1-olate CAS Name: (3Z)-2-(4-tert-butyl-1-pyridin-1-iumyl)-4-oxo-3-thiophen-2-ylsulfonylimino-1-naphthalenolate IUPAC Name: (3Z)-2-(4-tert-butylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate Traditional Name: (3Z)-2-(4-tert-butylpyridin-1-ium-1-yl)-4-keto-3-(2-thienylsulfonylimino)naphthalen-1-olate Formula: C23H20N2O4S2 MolecularWeight: 452.5459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O4S2/c1-23(2,3)15-10-12-25(13-11-15)20-19(24-31(28,29)18-9-6-14-30-18)21(26)16-7-4-5-8-17(16)22(20)27/h4-14H,1-3H3