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

Systemtic Name: (2R)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)propan-1-one Openeye Name: (2R)-2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)propan-1-one CAS Name: (2R)-2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)-1-propanone IUPAC Name: (2R)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)propan-1-one Traditional Name: (2R)-2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-1-(1H-indol-3-yl)propan-1-one Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NN=C(N3C4CC4)N5CCCCC5

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)SC3=NN=C(N3C4CC4)N5CCCCC5

InChI

InChI=1S/C21H25N5OS/c1-14(19(27)17-13-22-18-8-4-3-7-16(17)18)28-21-24-23-20(26(21)15-9-10-15)25-11-5-2-6-12-25/h3-4,7-8,13-15,22H,2,5-6,9-12H2,1H3/t14-/m1/s1