(Z)-1-(3,4-dimethylphenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-1-(3,4-dimethylphenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-1-(3,4-dimethylphenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (Z)-1-(3,4-dimethylphenyl)-3-(ethylamino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-1-(3,4-dimethylphenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-1-(3,4-dimethylphenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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