(2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one

Systemtic Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C14H14BrN3OS MolecularWeight: 352.24946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

C1CCC(=O)[C@H](C1)SC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C14H14BrN3OS/c15-10-6-2-1-5-9(10)13-16-14(18-17-13)20-12-8-4-3-7-11(12)19/h1-2,5-6,12H,3-4,7-8H2,(H,16,17,18)/t12-/m0/s1