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

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

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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=CC=C2)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2OS/c1-4-13-22-21(25)19(23-14-7-6-8-15-23)20(24)18-11-9-17(10-12-18)16(3)5-2/h4,6-12,14-16H,1,5,13H2,2-3H3,(H-,22,24,25)