N-butyl-2-[[4-(phenylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-butyl-2-[[4-(phenylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-acetamide CAS Name: N-butyl-2-[[4-(phenylmethyl)-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butylacetamide Traditional Name: 2-[[4-benzyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]-N-butyl-acetamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)CN3CCCC3

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)CN3CCCC3

InChI

InChI=1S/C20H29N5OS/c1-2-3-11-21-19(26)16-27-20-23-22-18(15-24-12-7-8-13-24)25(20)14-17-9-5-4-6-10-17/h4-6,9-10H,2-3,7-8,11-16H2,1H3,(H,21,26)