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

Systemtic Name: (2S)-2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: (2S)-2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: (2S)-2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C15H16BrN3OS MolecularWeight: 366.27604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2CCCCC2=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CN1C(=NN=C1S[C@H]2CCCCC2=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C15H16BrN3OS/c1-19-14(10-5-4-6-11(16)9-10)17-18-15(19)21-13-8-3-2-7-12(13)20/h4-6,9,13H,2-3,7-8H2,1H3/t13-/m0/s1