3-pyridin-2-yl-5-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-pyridin-2-yl-5-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(2-pyridyl)-5-[[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(2-pyridinyl)-5-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-pyridin-2-yl-5-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-(2-pyridyl)-5-[[4-(2-thenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=NC(=NO2)C3=CC=CC=N3)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)CC2=NC(=NO2)C3=CC=CC=N3)CC4=CC=CS4

InChI

InChI=1S/C18H21N5OS/c1-2-7-19-16(6-1)18-20-17(24-21-18)14-23-9-4-8-22(10-11-23)13-15-5-3-12-25-15/h1-3,5-7,12H,4,8-11,13-14H2