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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-(ethylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(5-chloro-2-thienyl)-3-(ethylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-(ethylamino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(ethylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(5-chloro-2-thienyl)-3-(ethylamino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C15H16ClN2OS2+ MolecularWeight: 339.88334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2OS2/c1-3-17-15(20)13(18-8-4-5-10(2)9-18)14(19)11-6-7-12(16)21-11/h4-9H,3H2,1-2H3,(H-,17,19,20)/p+1