(2S)-2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2S)-2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2S)-2-[[4-(2-furylmethyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-2-[[4-(2-furanylmethyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2S)-2-[[4-(2-furfuryl)-5-piperidino-1,2,4-triazol-3-yl]thio]propionamide Formula: C15H21N5O2S MolecularWeight: 335.42454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NN=C(N1CC2=CC=CO2)N3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)N)SC1=NN=C(N1CC2=CC=CO2)N3CCCCC3

InChI

InChI=1S/C15H21N5O2S/c1-11(13(16)21)23-15-18-17-14(19-7-3-2-4-8-19)20(15)10-12-6-5-9-22-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,16,21)/t11-/m0/s1