(2R)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone

Systemtic Name: (2R)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: (2R)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: (2R)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2R)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: (2R)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-piperidino-ethanone Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCCC3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C2=CC=CC=C2)C(=O)N3CCCCC3)C4=CC=NC=C4

InChI

InChI=1S/C22H25N5OS/c1-2-27-20(18-11-13-23-14-12-18)24-25-22(27)29-19(17-9-5-3-6-10-17)21(28)26-15-7-4-8-16-26/h3,5-6,9-14,19H,2,4,7-8,15-16H2,1H3/t19-/m1/s1