(5-nitro-1-benzothiophen-2-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (5-nitro-1-benzothiophen-2-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (5-nitrobenzothiophen-2-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (5-nitro-1-benzothiophen-2-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (5-nitro-1-benzothiophen-2-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (5-nitrobenzothiophen-2-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C20H15F3N4O5S MolecularWeight: 480.41711

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15F3N4O5S/c21-20(22,23)13-1-3-15(16(11-13)27(31)32)24-5-7-25(8-6-24)19(28)18-10-12-9-14(26(29)30)2-4-17(12)33-18/h1-4,9-11H,5-8H2