N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide CAS Name: N-[[(2R)-2-oxolanyl]methyl]-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4CCCO4

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC[C@H]4CCCO4

InChI

InChI=1S/C20H27N5O2S/c26-18(21-14-17-10-7-13-27-17)15-28-20-23-22-19(24-11-5-2-6-12-24)25(20)16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2,(H,21,26)/t17-/m1/s1