(Z)-1-(4-butan-2-ylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-1-(4-butan-2-ylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-(allylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-sec-butylphenyl)-3-thioxo-prop-1-en-1-olate CAS Name: (Z)-1-(4-butan-2-ylphenyl)-2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(prop-2-enylamino)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-1-(4-butan-2-ylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-3-(allylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-sec-butylphenyl)-3-thioxo-prop-1-en-1-olate Formula: C25H32N2OS MolecularWeight: 408.59938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2OS/c1-7-15-26-24(29)22(27-16-13-21(14-17-27)25(4,5)6)23(28)20-11-9-19(10-12-20)18(3)8-2/h7,9-14,16-18H,1,8,15H2,2-6H3,(H-,26,28,29)