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

Systemtic Name: (2R)-1-(4-bromophenyl)-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(4-bromophenyl)-2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2R)-1-(4-bromophenyl)-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(4-bromophenyl)-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(4-bromophenyl)-2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C17H20BrN3OS MolecularWeight: 394.3292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SC(C)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)Br)SC2=NN=C(N2C3CC3)C(C)C

InChI

InChI=1S/C17H20BrN3OS/c1-10(2)16-19-20-17(21(16)14-8-9-14)23-11(3)15(22)12-4-6-13(18)7-5-12/h4-7,10-11,14H,8-9H2,1-3H3/t11-/m1/s1