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

Systemtic Name: methyl 2-[[5-[(4-bromanylphenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrN3O3S/c1-25-18(24)13-27-19-22-21-17(12-26-16-9-7-15(20)8-10-16)23(19)11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3