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

Systemtic Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenyl-ethanone Openeye Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-2-phenyl-ethanone CAS Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)-2-phenylethanone IUPAC Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone Traditional Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]-1-morpholino-2-phenyl-ethanone Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC2=NC(=NN2)SC(C3=CC=CC=C3)C(=O)N4CCOCC4

Isomeric SMILES

C1CCC(C1)CC2=NC(=NN2)SC(C3=CC=CC=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C20H26N4O2S/c25-19(24-10-12-26-13-11-24)18(16-8-2-1-3-9-16)27-20-21-17(22-23-20)14-15-6-4-5-7-15/h1-3,8-9,15,18H,4-7,10-14H2,(H,21,22,23)