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

Systemtic Name: 5-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C19H20N5OS2+ MolecularWeight: 398.525

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NC3=CC=CC=C3S2)CC4=NC(=NO4)C5=CC=CS5

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NC3=CC=CC=C3S2)CC4=NC(=NO4)C5=CC=CS5

InChI

InChI=1S/C19H19N5OS2/c1-2-6-15-14(5-1)20-19(27-15)24-9-4-8-23(10-11-24)13-17-21-18(22-25-17)16-7-3-12-26-16/h1-3,5-7,12H,4,8-11,13H2/p+1