2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC2=NC(=NN2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)CCC2=NC(=NN2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3OS/c21-15(14-8-2-1-3-9-14)12-22-17-18-16(19-20-17)11-10-13-6-4-5-7-13/h1-3,8-9,13H,4-7,10-12H2,(H,18,19,20)