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

Systemtic Name: 5-(3-nitrophenyl)-3-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3-nitrophenyl)-3-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(3-nitrophenyl)-3-[[4-(2-pyrazinyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3-nitrophenyl)-3-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3-nitrophenyl)-3-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C17H18N7O3S+ MolecularWeight: 400.43492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N7O3S/c25-24(26)14-3-1-2-13(10-14)16-20-23(17(28)27-16)12-21-6-8-22(9-7-21)15-11-18-4-5-19-15/h1-5,10-11H,6-9,12H2/p+1