1-(4-bromophenyl)-2-[5-[(2-methylpropan-2-yl)oxymethyl]-2-prop-2-enylimino-1,3,4-thiadiazol-3-yl]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[5-[(2-methylpropan-2-yl)oxymethyl]-2-prop-2-enylimino-1,3,4-thiadiazol-3-yl]ethanone Openeye Name: 2-[2-allylimino-5-(tert-butoxymethyl)-1,3,4-thiadiazol-3-yl]-1-(4-bromophenyl)ethanone CAS Name: 1-(4-bromophenyl)-2-[5-[(2-methylpropan-2-yl)oxymethyl]-2-prop-2-enylimino-1,3,4-thiadiazol-3-yl]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[5-[(2-methylpropan-2-yl)oxymethyl]-2-prop-2-enylimino-1,3,4-thiadiazol-3-yl]ethanone Traditional Name: 2-[2-allylimino-5-(tert-butoxymethyl)-1,3,4-thiadiazol-3-yl]-1-(4-bromophenyl)ethanone Formula: C18H22BrN3O2S MolecularWeight: 424.35518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC1=NN(C(=NCC=C)S1)CC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OCC1=NN(C(=NCC=C)S1)CC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H22BrN3O2S/c1-5-10-20-17-22(21-16(25-17)12-24-18(2,3)4)11-15(23)13-6-8-14(19)9-7-13/h5-9H,1,10-12H2,2-4H3