ethyl 2-[[5-[(4-bromanylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(4-bromanylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-allyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-bromophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C16H18BrN3O3S MolecularWeight: 412.30142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC=C)COC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC=C)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H18BrN3O3S/c1-3-9-20-14(10-23-13-7-5-12(17)6-8-13)18-19-16(20)24-11-15(21)22-4-2/h3,5-8H,1,4,9-11H2,2H3