3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: 3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(2-furylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-(2-furanylmethylamino)-3-mercapto-2-(1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-(2-furfurylamino)-3-mercapto-2-pyridin-1-ium-1-yl-1-(2-thienyl)prop-2-en-1-one Formula: C17H15N2O2S2+ MolecularWeight: 343.4432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O2S2/c20-16(14-7-5-11-23-14)15(19-8-2-1-3-9-19)17(22)18-12-13-6-4-10-21-13/h1-11H,12H2,(H-,18,20,22)/p+1