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

Systemtic Name: 1-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C18H16BrN3OS MolecularWeight: 402.30814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3Br

Isomeric SMILES

CC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3Br

InChI

InChI=1S/C18H16BrN3OS/c1-13(23)12-24-18-21-20-17(15-9-5-6-10-16(15)19)22(18)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3