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

Systemtic Name: (E)-1-(4-ethylphenyl)-3-[(3-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(4-ethylphenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(4-ethylphenyl)-3-(3-methoxyanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(4-ethylphenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(4-ethylphenyl)-3-(m-anisidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O2S/c1-3-17-10-12-18(13-11-17)22(26)21(25-14-5-4-6-15-25)23(28)24-19-8-7-9-20(16-19)27-2/h4-16H,3H2,1-2H3,(H-,24,26,28)