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

Systemtic Name: (E)-1-(4-hexylphenyl)-3-[(4-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(4-hexylphenyl)-3-(4-methylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(4-hexylphenyl)-3-(4-methylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(4-hexylphenyl)-3-(4-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(4-hexylphenyl)-3-(p-toluidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=C(C(=S)NC2=CC=C(C=C2)C)[N+]3=CC=CC=C3)[O-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)/C(=C(/C(=S)NC2=CC=C(C=C2)C)\[N+]3=CC=CC=C3)/[O-]

InChI

InChI=1S/C27H30N2OS/c1-3-4-5-7-10-22-13-15-23(16-14-22)26(30)25(29-19-8-6-9-20-29)27(31)28-24-17-11-21(2)12-18-24/h6,8-9,11-20H,3-5,7,10H2,1-2H3,(H-,28,30,31)