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

Systemtic Name: N-methyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-methyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-methyl-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-methyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-methyl-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CN3CCCC3

Isomeric SMILES

CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CN3CCCC3

InChI

InChI=1S/C16H21N5OS/c1-17-15(22)12-23-16-19-18-14(11-20-9-5-6-10-20)21(16)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H,17,22)