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

Systemtic Name: 1-phenyl-3-(propylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-phenyl-3-(propylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 1-phenyl-3-(propylamino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-phenyl-3-(propylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-phenyl-3-(propylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C17H18N2OS MolecularWeight: 298.40262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2OS/c1-2-11-18-17(21)15(19-12-7-4-8-13-19)16(20)14-9-5-3-6-10-14/h3-10,12-13H,2,11H2,1H3,(H-,18,20,21)