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

Systemtic Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(furan-2-ylmethylamino)-1-(4-phenylphenyl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-furylmethylamino)-1-(4-phenylphenyl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(2-furanylmethylamino)-1-(4-phenylphenyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(furan-2-ylmethylamino)-1-(4-phenylphenyl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-furfurylamino)-1-(4-phenylphenyl)-3-thioxo-prop-1-en-1-olate Formula: C29H28N2O2S MolecularWeight: 468.60982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C(=C(C2=CC=C(C=C2)C3=CC=CC=C3)[O-])C(=S)NCC4=CC=CO4

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)/C(=C(\C2=CC=C(C=C2)C3=CC=CC=C3)/[O-])/C(=S)NCC4=CC=CO4

InChI

InChI=1S/C29H28N2O2S/c1-29(2,3)24-15-17-31(18-16-24)26(28(34)30-20-25-10-7-19-33-25)27(32)23-13-11-22(12-14-23)21-8-5-4-6-9-21/h4-19H,20H2,1-3H3,(H-,30,32,34)