3-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(6-nitro-3-pyridyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(6-nitro-3-pyridyl)piperazino]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)OC(=N2)C3=CC=CC=C3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C(=S)OC(=N2)C3=CC=CC=C3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O3S/c25-24(26)16-7-6-15(12-19-16)22-10-8-21(9-11-22)13-23-18(28)27-17(20-23)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2