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

Systemtic Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-(prop-2-enylamino)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(allylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(4-nitrophenyl)-3-(prop-2-enylamino)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-(prop-2-enylamino)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(allylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-thioxo-prop-1-en-1-olate Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-5-12-22-20(28)18(23-13-10-16(11-14-23)21(2,3)4)19(25)15-6-8-17(9-7-15)24(26)27/h5-11,13-14H,1,12H2,2-4H3,(H-,22,25,28)