(E)-1-(4-hexylphenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(4-hexylphenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-anilino-1-(4-hexylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-anilino-1-(4-hexylphenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-anilino-1-(4-hexylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-anilino-1-(4-hexylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2OS/c1-2-3-4-7-12-21-15-17-22(18-16-21)25(29)24(28-19-10-6-11-20-28)26(30)27-23-13-8-5-9-14-23/h5-6,8-11,13-20H,2-4,7,12H2,1H3,(H-,27,29,30)