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

Systemtic Name: (E)-1-(4-bromophenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(allylamino)-1-(4-bromophenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(4-bromophenyl)-2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(prop-2-enylamino)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(4-bromophenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(allylamino)-1-(4-bromophenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate Formula: C21H23BrN2OS MolecularWeight: 431.38912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2OS/c1-5-12-23-20(26)18(19(25)15-6-8-17(22)9-7-15)24-13-10-16(11-14-24)21(2,3)4/h5-11,13-14H,1,12H2,2-4H3,(H-,23,25,26)