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

Systemtic Name: (2S)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide Openeye Name: (2S)-N-propyl-2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: (2S)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propylpropanamide Traditional Name: (2S)-N-propyl-2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H27N5OS MolecularWeight: 373.51558

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NN=C(N1C2=CC=C(C=C2)C)N3CCCC3

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NN=C(N1C2=CC=C(C=C2)C)N3CCCC3

InChI

InChI=1S/C19H27N5OS/c1-4-11-20-17(25)15(3)26-19-22-21-18(23-12-5-6-13-23)24(19)16-9-7-14(2)8-10-16/h7-10,15H,4-6,11-13H2,1-3H3,(H,20,25)/t15-/m0/s1