(E)-1-(5-chloranylthiophen-2-yl)-3-[(2,6-diethylphenyl)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-diethylphenyl)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-diethylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(5-chloro-2-thiophenyl)-3-(2,6-diethylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(5-chlorothiophen-2-yl)-3-(2,6-diethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(5-chloro-2-thienyl)-3-(2,6-diethylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C22H21ClN2OS2 MolecularWeight: 428.99794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)C(=C(C2=CC=C(S2)Cl)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)/C(=C(/C2=CC=C(S2)Cl)\[O-])/[N+]3=CC=CC=C3

InChI

InChI=1S/C22H21ClN2OS2/c1-3-15-9-8-10-16(4-2)19(15)24-22(27)20(25-13-6-5-7-14-25)21(26)17-11-12-18(23)28-17/h5-14H,3-4H2,1-2H3,(H-,24,26,27)