N-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-carboxamide

Systemtic Name: N-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-carboxamide Openeye Name: N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide CAS Name: N-[[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide Traditional Name: N-[[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-carboxamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)CNC(=O)N3CCCC3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)CNC(=O)N3CCCC3

InChI

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