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

Systemtic Name: 1-(4-bromophenyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)propan-1-one CAS Name: 1-(4-bromophenyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)propan-1-one Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(4-bromophenyl)propan-1-one Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SC(C)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SC(C)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrN3OS/c1-13(18(24)16-8-10-17(20)11-9-16)25-19-22-21-14(2)23(19)12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3