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

Systemtic Name: 1-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetone Formula: C12H12BrN3OS MolecularWeight: 326.21218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C)C2=CC=CC=C2Br

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C)C2=CC=CC=C2Br

InChI

InChI=1S/C12H12BrN3OS/c1-8(17)7-18-12-15-14-11(16(12)2)9-5-3-4-6-10(9)13/h3-6H,7H2,1-2H3