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

Systemtic Name: 3-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Formula: C19H18ClN5O3S MolecularWeight: 431.89592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O3S/c20-15-6-7-16(17(12-15)25(26)27)23-10-8-22(9-11-23)13-24-19(29)28-18(21-24)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2