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

Systemtic Name: 5-(3-bromophenyl)-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3-bromophenyl)-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(3-bromophenyl)-3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3-bromophenyl)-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3-bromophenyl)-3-[[4-(4-nitrophenyl)piperazino]methyl]-1,3,4-oxadiazole-2-thione Formula: C19H18BrN5O3S MolecularWeight: 476.34692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN5O3S/c20-15-3-1-2-14(12-15)18-21-24(19(29)28-18)13-22-8-10-23(11-9-22)16-4-6-17(7-5-16)25(26)27/h1-7,12H,8-11,13H2