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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NN=CN2C

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)Br)SC2=NN=CN2C

InChI

InChI=1S/C12H12BrN3OS/c1-8(18-12-15-14-7-16(12)2)11(17)9-3-5-10(13)6-4-9/h3-8H,1-2H3/t8-/m1/s1