1-[5-[(4-bromanylphenoxy)methyl]-2-prop-2-enylimino-1,3,4-thiadiazol-3-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[5-[(4-bromanylphenoxy)methyl]-2-prop-2-enylimino-1,3,4-thiadiazol-3-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[2-allylimino-5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-3-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[5-[(4-bromophenoxy)methyl]-2-prop-2-enylimino-1,3,4-thiadiazol-3-yl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[5-[(4-bromophenoxy)methyl]-2-prop-2-enylimino-1,3,4-thiadiazol-3-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[2-allylimino-5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-3-yl]-3,3-dimethyl-butan-2-one Formula: C18H22BrN3O2S MolecularWeight: 424.35518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C(=NCC=C)SC(=N1)COC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C(=O)CN1C(=NCC=C)SC(=N1)COC2=CC=C(C=C2)Br

InChI

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