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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(furan-2-ylmethylamino)-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-furylmethylamino)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(2-furanylmethylamino)-3-mercapto-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(furan-2-ylmethylamino)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-furfurylamino)-3-mercapto-1-(2-thienyl)prop-2-en-1-one Formula: C21H23N2O2S2+ MolecularWeight: 399.54952

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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=CS3

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)C(=C(NCC2=CC=CO2)S)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N2O2S2/c1-21(2,3)15-8-10-23(11-9-15)18(19(24)17-7-5-13-27-17)20(26)22-14-16-6-4-12-25-16/h4-13H,14H2,1-3H3,(H-,22,24,26)/p+1