(E)-1-(5-chloranylthiophen-2-yl)-3-[(2,6-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(5-chloranylthiophen-2-yl)-3-[(2,6-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(5-chloro-2-thienyl)-3-(2,6-dimethylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(5-chloro-2-thiophenyl)-3-(2,6-dimethylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(5-chlorothiophen-2-yl)-3-(2,6-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(5-chloro-2-thienyl)-3-(2,6-dimethylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C20H17ClN2OS2 MolecularWeight: 400.94478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)C(=C(C2=CC=C(S2)Cl)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)/C(=C(/C2=CC=C(S2)Cl)\[O-])/[N+]3=CC=CC=C3

InChI

InChI=1S/C20H17ClN2OS2/c1-13-7-6-8-14(2)17(13)22-20(25)18(23-11-4-3-5-12-23)19(24)15-9-10-16(21)26-15/h3-12H,1-2H3,(H-,22,24,25)