1-[3-[(4-bromanylphenoxy)methyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-2-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C(=S)N(C(=N1)COC2=CC=C(C=C2)Br)CC=C

Isomeric SMILES

CC(C)(C)C(=O)CN1C(=S)N(C(=N1)COC2=CC=C(C=C2)Br)CC=C

InChI

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