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

Systemtic Name: 5-(3,5-dinitrophenyl)-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3,5-dinitrophenyl)-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(3,5-dinitrophenyl)-3-[(4-phenyl-1-piperazinyl)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3,5-dinitrophenyl)-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3,5-dinitrophenyl)-3-[(4-phenylpiperazino)methyl]-1,3,4-oxadiazole-2-thione Formula: C19H18N6O5S MolecularWeight: 442.44842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O5S/c26-24(27)16-10-14(11-17(12-16)25(28)29)18-20-23(19(31)30-18)13-21-6-8-22(9-7-21)15-4-2-1-3-5-15/h1-5,10-12H,6-9,13H2