(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: (3-chloro-6-fluoro-benzothiophen-2-yl)-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: (3-chloro-6-fluoro-1-benzothiophen-2-yl)-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-6-fluoro-1-benzothiophen-2-yl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: (3-chloro-6-fluoro-benzothiophen-2-yl)-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C18H14ClFN4O3S MolecularWeight: 420.845163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClFN4O3S/c19-16-13-3-1-11(20)9-14(13)28-17(16)18(25)23-7-5-22(6-8-23)12-2-4-15(21-10-12)24(26)27/h1-4,9-10H,5-8H2