(E)-3-(ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-(ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(ethylamino)-1-phenyl-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C16H16N2OS MolecularWeight: 284.37604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2OS/c1-2-17-16(20)14(18-11-7-4-8-12-18)15(19)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H-,17,19,20)