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

Systemtic Name: 2-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 2-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C24H20BrN3OS MolecularWeight: 478.4041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Br

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Br

InChI

InChI=1S/C24H20BrN3OS/c1-17(22(29)19-12-6-3-7-13-19)30-24-27-26-23(20-14-8-9-15-21(20)25)28(24)16-18-10-4-2-5-11-18/h2-15,17H,16H2,1H3