(2,4-dinitrophenyl)-[4-(2,4-dinitrophenyl)carbothioylpiperazin-1-yl]methanethione

Systemtic Name: (2,4-dinitrophenyl)-[4-(2,4-dinitrophenyl)carbothioylpiperazin-1-yl]methanethione Openeye Name: [4-(2,4-dinitrobenzenecarbothioyl)piperazin-1-yl]-(2,4-dinitrophenyl)methanethione CAS Name: (2,4-dinitrophenyl)-[4-[(2,4-dinitrophenyl)-sulfanylidenemethyl]-1-piperazinyl]methanethione IUPAC Name: [4-(2,4-dinitrobenzenecarbothioyl)piperazin-1-yl]-(2,4-dinitrophenyl)methanethione Traditional Name: (2,4-dinitrophenyl)-[4-(2,4-dinitrothiobenzoyl)piperazino]methanethione Formula: C18H14N6O8S2 MolecularWeight: 506.46916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=S)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=S)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=S)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O8S2/c25-21(26)11-1-3-13(15(9-11)23(29)30)17(33)19-5-7-20(8-6-19)18(34)14-4-2-12(22(27)28)10-16(14)24(31)32/h1-4,9-10H,5-8H2