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

Systemtic Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(furan-2-ylmethylamino)-1-(4-phenylphenyl)-3-sulfanyl-prop-2-en-1-one Openeye Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-furylmethylamino)-1-(4-phenylphenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: (E)-2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(2-furanylmethylamino)-3-mercapto-1-(4-phenylphenyl)-2-propen-1-one IUPAC Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(furan-2-ylmethylamino)-1-(4-phenylphenyl)-3-sulfanylprop-2-en-1-one Traditional Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-furfurylamino)-3-mercapto-1-(4-phenylphenyl)prop-2-en-1-one Formula: C29H29N2O2S+ MolecularWeight: 469.61776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C(=C(NCC2=CC=CO2)S)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)/C(=C(\NCC2=CC=CO2)/S)/C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

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)/p+1