[(2S)-4-(2-fluoranyl-5-methyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [(2S)-4-(2-fluoranyl-5-methyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [(2S)-4-(2-fluoro-5-methyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]-(2-thienyl)methanone CAS Name: [(2S)-4-(2-fluoro-5-methyl-4-nitrophenyl)-2-methyl-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [(2S)-4-(2-fluoro-5-methyl-4-nitrophenyl)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [(2S)-4-(2-fluoro-5-methyl-4-nitro-phenyl)-2-methyl-piperazino]-(2-thienyl)methanone Formula: C17H18FN3O3S MolecularWeight: 363.406523

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CS2)C3=C(C=C(C(=C3)C)[N+](=O)[O-])F

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C2=CC=CS2)C3=C(C=C(C(=C3)C)[N+](=O)[O-])F

InChI

InChI=1S/C17H18FN3O3S/c1-11-8-15(13(18)9-14(11)21(23)24)19-5-6-20(12(2)10-19)17(22)16-4-3-7-25-16/h3-4,7-9,12H,5-6,10H2,1-2H3/t12-/m0/s1