1-(3,4-dichlorophenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(3,4-dichlorophenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dichlorophenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dichlorophenyl)-3-(ethylamino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dichlorophenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3,4-dichlorophenyl)-3-(ethylamino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C16H15Cl2N2OS+ MolecularWeight: 354.2741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14Cl2N2OS/c1-2-19-16(22)14(20-8-4-3-5-9-20)15(21)11-6-7-12(17)13(18)10-11/h3-10H,2H2,1H3,(H-,19,21,22)/p+1