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

Systemtic Name: [4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-(3-chloranyl-6-nitro-1-benzothiophen-2-yl)methanone Openeye Name: [4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-(3-chloro-6-nitro-benzothiophen-2-yl)methanone CAS Name: [4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-(3-chloro-6-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(3-chloro-6-nitro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(2-chloro-6-fluoro-benzyl)piperazino]-(3-chloro-6-nitro-benzothiophen-2-yl)methanone Formula: C20H16Cl2FN3O3S MolecularWeight: 468.328743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H16Cl2FN3O3S/c21-15-2-1-3-16(23)14(15)11-24-6-8-25(9-7-24)20(27)19-18(22)13-5-4-12(26(28)29)10-17(13)30-19/h1-5,10H,6-9,11H2