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

Systemtic Name: (2R)-1-(4-bromophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(4-bromophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2R)-1-(4-bromophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(4-bromophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(4-bromophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C16H18BrN3OS MolecularWeight: 380.30262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)C2=CC=C(C=C2)Br)C3CC3

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C)C(=O)C2=CC=C(C=C2)Br)C3CC3

InChI

InChI=1S/C16H18BrN3OS/c1-3-20-15(12-4-5-12)18-19-16(20)22-10(2)14(21)11-6-8-13(17)9-7-11/h6-10,12H,3-5H2,1-2H3/t10-/m1/s1