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

Systemtic Name: 3-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-1,3-benzoxazole-2-thione Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=CC=CC=C3OC2=S)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C3=CC=CC=C3OC2=S)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O3S/c19-13-5-6-14(16(11-13)23(24)25)21-9-7-20(8-10-21)12-22-15-3-1-2-4-17(15)26-18(22)27/h1-6,11H,7-10,12H2