(E)-3-[(4-chlorophenyl)amino]-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-[(4-chlorophenyl)amino]-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(4-chloroanilino)-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(4-chloroanilino)-1-(4-ethylphenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(4-chloroanilino)-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(4-chloroanilino)-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C22H19ClN2OS MolecularWeight: 394.91706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=C(C(=S)NC2=CC=C(C=C2)Cl)[N+]3=CC=CC=C3)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)/C(=C(/C(=S)NC2=CC=C(C=C2)Cl)\[N+]3=CC=CC=C3)/[O-]

InChI

InChI=1S/C22H19ClN2OS/c1-2-16-6-8-17(9-7-16)21(26)20(25-14-4-3-5-15-25)22(27)24-19-12-10-18(23)11-13-19/h3-15H,2H2,1H3,(H-,24,26,27)