1-(5-chloranylthiophen-2-yl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(5-chloro-2-thienyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-(ethylamino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(5-chloro-2-thienyl)-3-(ethylamino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C14H14ClN2OS2+ MolecularWeight: 325.85676

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=C(C(=O)C1=CC=C(S1)Cl)[N+]2=CC=CC=C2)S

Isomeric SMILES

CCNC(=C(C(=O)C1=CC=C(S1)Cl)[N+]2=CC=CC=C2)S

InChI

InChI=1S/C14H13ClN2OS2/c1-2-16-14(19)12(17-8-4-3-5-9-17)13(18)10-6-7-11(15)20-10/h3-9H,2H2,1H3,(H-,16,18,19)/p+1