2-[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol bromide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol bromide Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)imino-thiazol-3-yl]ethanol bromide CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)imino-3-thiazolyl]ethanol bromide IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol bromide Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)imino-4-thiazolin-3-yl]ethanol bromide Formula: C19H18BrN2O4S- MolecularWeight: 450.32622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCO4)CCO.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCO4)CCO.[Br-]

InChI

InChI=1S/C19H18N2O4S.BrH/c1-23-15-5-3-14(4-6-15)20-19-21(8-9-22)16(11-26-19)13-2-7-17-18(10-13)25-12-24-17;/h2-7,10-11,22H,8-9,12H2,1H3;1H/p-1