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

Systemtic Name: (phenylmethyl) 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid benzyl ester Formula: C23H18BrN3O2S MolecularWeight: 480.37692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4Br

InChI

InChI=1S/C23H18BrN3O2S/c24-20-14-8-7-13-19(20)22-25-26-23(27(22)18-11-5-2-6-12-18)30-16-21(28)29-15-17-9-3-1-4-10-17/h1-14H,15-16H2