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

Systemtic Name: (E)-1-(4-tert-butylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(allylamino)-1-(4-tert-butylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(4-tert-butylphenyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-(prop-2-enylamino)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(4-tert-butylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(allylamino)-1-(4-tert-butylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(C2=CC=C(C=C2)C(C)(C)C)[O-])C(=S)NCC=C

Isomeric SMILES

CC1=C[N+](=CC=C1)/C(=C(\C2=CC=C(C=C2)C(C)(C)C)/[O-])/C(=S)NCC=C

InChI

InChI=1S/C22H26N2OS/c1-6-13-23-21(26)19(24-14-7-8-16(2)15-24)20(25)17-9-11-18(12-10-17)22(3,4)5/h6-12,14-15H,1,13H2,2-5H3,(H-,23,25,26)