(Z)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-(2,4,5-trimethylphenyl)prop-1-en-1-olate

Systemtic Name: (Z)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-(2,4,5-trimethylphenyl)prop-1-en-1-olate Openeye Name: (Z)-3-(allylamino)-2-pyridin-1-ium-1-yl-3-thioxo-1-(2,4,5-trimethylphenyl)prop-1-en-1-olate CAS Name: (Z)-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-(2,4,5-trimethylphenyl)-1-propen-1-olate IUPAC Name: (Z)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-(2,4,5-trimethylphenyl)prop-1-en-1-olate Traditional Name: (Z)-3-(allylamino)-2-pyridin-1-ium-1-yl-3-thioxo-1-(2,4,5-trimethylphenyl)prop-1-en-1-olate Formula: C20H22N2OS MolecularWeight: 338.46648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=C(C(=S)NCC=C)[N+]2=CC=CC=C2)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1/C(=C(\C(=S)NCC=C)/[N+]2=CC=CC=C2)/[O-])C)C

InChI

InChI=1S/C20H22N2OS/c1-5-9-21-20(24)18(22-10-7-6-8-11-22)19(23)17-13-15(3)14(2)12-16(17)4/h5-8,10-13H,1,9H2,2-4H3,(H-,21,23,24)