[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanethione

Systemtic Name: [5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanethione Openeye Name: [5-(2-chloro-4-nitro-phenyl)-2-furyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanethione CAS Name: [5-(2-chloro-4-nitrophenyl)-2-furanyl]-[4-(2-nitrophenyl)-1-piperazinyl]methanethione IUPAC Name: [5-(2-chloro-4-nitrophenyl)furan-2-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanethione Traditional Name: [5-(2-chloro-4-nitro-phenyl)-2-furyl]-[4-(2-nitrophenyl)piperazino]methanethione Formula: C21H17ClN4O5S MolecularWeight: 472.90148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=S)C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=S)C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H17ClN4O5S/c22-16-13-14(25(27)28)5-6-15(16)19-7-8-20(31-19)21(32)24-11-9-23(10-12-24)17-3-1-2-4-18(17)26(29)30/h1-8,13H,9-12H2