5-(furan-2-yl)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(furan-2-yl)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(2-furyl)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(2-furanyl)-3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(furan-2-yl)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(2-furyl)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Formula: C17H18N5O4S+ MolecularWeight: 388.42092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CC=CO3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CC=CO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S/c23-22(24)14-5-3-13(4-6-14)20-9-7-19(8-10-20)12-21-17(27)26-16(18-21)15-2-1-11-25-15/h1-6,11H,7-10,12H2/p+1