1-[4-[4-(4-methoxyphenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]phenyl]ethanone bromide

Systemtic Name: 1-[4-[4-(4-methoxyphenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]phenyl]ethanone bromide Openeye Name: 1-[4-[2-allylimino-4-(4-methoxyphenyl)thiazol-3-yl]phenyl]ethanone bromide CAS Name: 1-[4-[4-(4-methoxyphenyl)-2-prop-2-enylimino-3-thiazolyl]phenyl]ethanone bromide IUPAC Name: 1-[4-[4-(4-methoxyphenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]phenyl]ethanone bromide Traditional Name: 1-[4-[2-allylimino-4-(4-methoxyphenyl)-4-thiazolin-3-yl]phenyl]ethanone bromide Formula: C21H20BrN2O2S- MolecularWeight: 444.3647

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=CSC2=NCC=C)C3=CC=C(C=C3)OC.[Br-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=CSC2=NCC=C)C3=CC=C(C=C3)OC.[Br-]

InChI

InChI=1S/C21H20N2O2S.BrH/c1-4-13-22-21-23(18-9-5-16(6-10-18)15(2)24)20(14-26-21)17-7-11-19(25-3)12-8-17;/h4-12,14H,1,13H2,2-3H3;1H/p-1