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

Systemtic Name: 2-[[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(2-chloro-4-nitro-phenyl)piperazino]methyl]-1,3-benzothiazole Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClN4O2S/c19-14-11-13(23(24)25)5-6-16(14)22-9-7-21(8-10-22)12-18-20-15-3-1-2-4-17(15)26-18/h1-6,11H,7-10,12H2