3-[[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Formula: C19H20N5O2S2+ MolecularWeight: 414.5244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=S)CC4=NC(=NO4)C5=CSC=C5

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=S)CC4=NC(=NO4)C5=CSC=C5

InChI

InChI=1S/C19H19N5O2S2/c27-19-24(15-3-1-2-4-16(15)25-19)13-23-8-6-22(7-9-23)11-17-20-18(21-26-17)14-5-10-28-12-14/h1-5,10,12H,6-9,11,13H2/p+1