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

Systemtic Name: (2R)-1-(4-bromophenyl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(4-bromophenyl)-2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: (2R)-1-(4-bromophenyl)-2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: (2R)-1-(4-bromophenyl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(4-bromophenyl)-2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C19H23BrN4OS MolecularWeight: 435.38112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NN=C(N2C3CC3)N4CCCCC4

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)Br)SC2=NN=C(N2C3CC3)N4CCCCC4

InChI

InChI=1S/C19H23BrN4OS/c1-13(17(25)14-5-7-15(20)8-6-14)26-19-22-21-18(24(19)16-9-10-16)23-11-3-2-4-12-23/h5-8,13,16H,2-4,9-12H2,1H3/t13-/m1/s1