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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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