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

Systemtic Name: 3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-(ethylamino)-3-mercapto-2-(1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-(ethylamino)-3-mercapto-2-pyridin-1-ium-1-yl-1-(2-thienyl)prop-2-en-1-one Formula: C14H15N2OS2+ MolecularWeight: 291.4117

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=C(C(=O)C1=CC=CS1)[N+]2=CC=CC=C2)S

Isomeric SMILES

CCNC(=C(C(=O)C1=CC=CS1)[N+]2=CC=CC=C2)S

InChI

InChI=1S/C14H14N2OS2/c1-2-15-14(18)12(16-8-4-3-5-9-16)13(17)11-7-6-10-19-11/h3-10H,2H2,1H3,(H-,15,17,18)/p+1