(E)-1-(2-chlorophenyl)-3-(furan-2-ylmethylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(2-chlorophenyl)-3-(furan-2-ylmethylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(2-chlorophenyl)-3-(2-furylmethylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(2-chlorophenyl)-3-(2-furanylmethylamino)-2-(3-methyl-1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(2-chlorophenyl)-3-(furan-2-ylmethylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(2-chlorophenyl)-3-(2-furfurylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate Formula: C20H17ClN2O2S MolecularWeight: 384.87918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(C2=CC=CC=C2Cl)[O-])C(=S)NCC3=CC=CO3

Isomeric SMILES

CC1=C[N+](=CC=C1)/C(=C(\C2=CC=CC=C2Cl)/[O-])/C(=S)NCC3=CC=CO3

InChI

InChI=1S/C20H17ClN2O2S/c1-14-6-4-10-23(13-14)18(19(24)16-8-2-3-9-17(16)21)20(26)22-12-15-7-5-11-25-15/h2-11,13H,12H2,1H3,(H-,22,24,26)