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

Systemtic Name: (Z)-1-(4-bromophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-(allylamino)-1-(4-bromophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (Z)-1-(4-bromophenyl)-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-1-(4-bromophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-3-(allylamino)-1-(4-bromophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C17H15BrN2OS MolecularWeight: 375.2828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)C(=C(C1=CC=C(C=C1)Br)[O-])[N+]2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2OS/c1-2-10-19-17(22)15(20-11-4-3-5-12-20)16(21)13-6-8-14(18)9-7-13/h2-9,11-12H,1,10H2,(H-,19,21,22)