methyl 5-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methoxy-3-methyl-benzoate

Systemtic Name: methyl 5-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methoxy-3-methyl-benzoate Openeye Name: methyl 5-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methoxy-3-methyl-benzoate CAS Name: 5-[[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-2-methoxy-3-methylbenzoic acid methyl ester IUPAC Name: methyl 5-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methoxy-3-methylbenzoate Traditional Name: 5-[[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-2-methoxy-3-methyl-benzoic acid methyl ester Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=C(C(=C2)C(=O)OC)OC)C)C3=CC(=CC=C3)Br

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=C(C(=C2)C(=O)OC)OC)C)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H22BrN3O3S/c1-5-25-19(15-7-6-8-16(22)11-15)23-24-21(25)29-12-14-9-13(2)18(27-3)17(10-14)20(26)28-4/h6-11H,5,12H2,1-4H3