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

Systemtic Name: (Z)-1-(4-tert-butylphenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-(allylamino)-1-(4-tert-butylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (Z)-1-(4-tert-butylphenyl)-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-1-(4-tert-butylphenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-3-(allylamino)-1-(4-tert-butylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2OS/c1-5-13-22-20(25)18(23-14-7-6-8-15-23)19(24)16-9-11-17(12-10-16)21(2,3)4/h5-12,14-15H,1,13H2,2-4H3,(H-,22,24,25)