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

Systemtic Name: (2R)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-yl-propan-1-one Openeye Name: (2R)-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)propan-1-one CAS Name: (2R)-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)-1-propanone IUPAC Name: (2R)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one Traditional Name: (2R)-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]-1-piperidino-propan-1-one Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

C[C@H](C(=O)N1CCCCC1)SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C21H29N5OS/c1-17(19(27)24-13-7-3-8-14-24)28-21-23-22-20(25-15-9-4-10-16-25)26(21)18-11-5-2-6-12-18/h2,5-6,11-12,17H,3-4,7-10,13-16H2,1H3/t17-/m1/s1