(Z)-3-(ethylamino)-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (Z)-3-(ethylamino)-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (Z)-3-(ethylamino)-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (Z)-3-(ethylamino)-1-(4-ethylphenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (Z)-3-(ethylamino)-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (Z)-3-(ethylamino)-1-(4-ethylphenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C18H21N2OS+ MolecularWeight: 313.43714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(=C(NCC)S)[N+]2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)/C(=C(\NCC)/S)/[N+]2=CC=CC=C2

InChI

InChI=1S/C18H20N2OS/c1-3-14-8-10-15(11-9-14)17(21)16(18(22)19-4-2)20-12-6-5-7-13-20/h5-13H,3-4H2,1-2H3,(H-,19,21,22)/p+1