5-(3,5-dinitrophenyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(3,5-dinitrophenyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3,5-dinitrophenyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(3,5-dinitrophenyl)-3-[(4-methyl-1-piperazinyl)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3,5-dinitrophenyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3,5-dinitrophenyl)-3-[(4-methylpiperazino)methyl]-1,3,4-oxadiazole-2-thione Formula: C14H16N6O5S MolecularWeight: 380.37904

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CN2C(=S)OC(=N2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CN2C(=S)OC(=N2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O5S/c1-16-2-4-17(5-3-16)9-18-14(26)25-13(15-18)10-6-11(19(21)22)8-12(7-10)20(23)24/h6-8H,2-5,9H2,1H3