4-bromanyl-N'-[4-(4-ethoxyphenyl)-5-methyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]benzohydrazide bromide

Systemtic Name: 4-bromanyl-N'-[4-(4-ethoxyphenyl)-5-methyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]benzohydrazide bromide Openeye Name: N'-[3-allyl-4-(4-ethoxyphenyl)-5-methyl-thiazol-3-ium-2-yl]-4-bromo-benzohydrazide bromide CAS Name: 4-bromo-N'-[4-(4-ethoxyphenyl)-5-methyl-3-prop-2-enyl-2-thiazol-3-iumyl]benzohydrazide bromide IUPAC Name: 4-bromo-N'-[4-(4-ethoxyphenyl)-5-methyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]benzohydrazide bromide Traditional Name: N'-(3-allyl-5-methyl-4-p-phenetyl-thiazol-3-ium-2-yl)-4-bromo-benzohydrazide bromide Formula: C22H23Br2N3O2S MolecularWeight: 553.30992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=[N+]2CC=C)NNC(=O)C3=CC=C(C=C3)Br)C.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=[N+]2CC=C)NNC(=O)C3=CC=C(C=C3)Br)C.[Br-]

InChI

InChI=1S/C22H22BrN3O2S.BrH/c1-4-14-26-20(16-8-12-19(13-9-16)28-5-2)15(3)29-22(26)25-24-21(27)17-6-10-18(23)11-7-17;/h4,6-13H,1,5,14H2,2-3H3,(H,24,27);1H