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

Systemtic Name: (Z)-1-(4-tert-butylphenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-1-(4-tert-butylphenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (Z)-1-(4-tert-butylphenyl)-3-(ethylamino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-1-(4-tert-butylphenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-1-(4-tert-butylphenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C20H24N2OS MolecularWeight: 340.48236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2OS/c1-5-21-19(24)17(22-13-7-6-8-14-22)18(23)15-9-11-16(12-10-15)20(2,3)4/h6-14H,5H2,1-4H3,(H-,21,23,24)