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

Systemtic Name: methyl 3-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C23H18BrN3O2S MolecularWeight: 480.37692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Br

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H18BrN3O2S/c1-29-22(28)18-9-5-7-16(13-18)15-30-23-26-25-21(17-8-6-10-19(24)14-17)27(23)20-11-3-2-4-12-20/h2-14H,15H2,1H3