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

Systemtic Name: (2R)-1-(4-bromophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(4-bromophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2R)-1-(4-bromophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(4-bromophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(4-bromophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C18H22BrN3OS MolecularWeight: 408.35578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)S[C@H](C)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H22BrN3OS/c1-12(17(23)14-8-10-15(19)11-9-14)24-18-21-20-13(2)22(18)16-6-4-3-5-7-16/h8-12,16H,3-7H2,1-2H3/t12-/m1/s1