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

Systemtic Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-ethanone Formula: C13H20N4OS MolecularWeight: 280.3891

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SCC(=O)N3CCCC3

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SCC(=O)N3CCCC3

InChI

InChI=1S/C13H20N4OS/c18-11(17-7-3-4-8-17)9-19-13-14-12(15-16-13)10-5-1-2-6-10/h10H,1-9H2,(H,14,15,16)