(2S)-N-ethyl-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2S)-N-ethyl-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2S)-N-ethyl-2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-ethyl-2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-N-ethyl-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2S)-N-ethyl-2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H27N5OS MolecularWeight: 373.51558

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NN=C(N1C2=CC=C(C=C2)C)N3CCCCC3

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NN=C(N1C2=CC=C(C=C2)C)N3CCCCC3

InChI

InChI=1S/C19H27N5OS/c1-4-20-17(25)15(3)26-19-22-21-18(23-12-6-5-7-13-23)24(19)16-10-8-14(2)9-11-16/h8-11,15H,4-7,12-13H2,1-3H3,(H,20,25)/t15-/m0/s1