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

Systemtic Name: 1-(2-chlorophenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(2-chlorophenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(2-chlorophenyl)-3-(ethylamino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2-chlorophenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(2-chlorophenyl)-3-(ethylamino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C16H16ClN2OS+ MolecularWeight: 319.82904

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=C(C(=O)C1=CC=CC=C1Cl)[N+]2=CC=CC=C2)S

Isomeric SMILES

CCNC(=C(C(=O)C1=CC=CC=C1Cl)[N+]2=CC=CC=C2)S

InChI

InChI=1S/C16H15ClN2OS/c1-2-18-16(21)14(19-10-6-3-7-11-19)15(20)12-8-4-5-9-13(12)17/h3-11H,2H2,1H3,(H-,18,20,21)/p+1