(E)-1-(4-tert-butylphenyl)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(4-tert-butylphenyl)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(4-tert-butylphenyl)-3-(2-furylmethylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(4-tert-butylphenyl)-3-(2-furanylmethylamino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(4-tert-butylphenyl)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(4-tert-butylphenyl)-3-(2-furfurylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=C(C(=S)NCC2=CC=CO2)[N+]3=CC=CC=C3)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C(=C(/C(=S)NCC2=CC=CO2)\[N+]3=CC=CC=C3)/[O-]

InChI

InChI=1S/C23H24N2O2S/c1-23(2,3)18-11-9-17(10-12-18)21(26)20(25-13-5-4-6-14-25)22(28)24-16-19-8-7-15-27-19/h4-15H,16H2,1-3H3,(H-,24,26,28)