2-[4-(2,4-dichlorophenyl)sulfanyl-3-nitro-phenyl]-1-piperazin-1-yl-prop-2-en-1-one; ethanoyl fluoride

Systemtic Name: 2-[4-(2,4-dichlorophenyl)sulfanyl-3-nitro-phenyl]-1-piperazin-1-yl-prop-2-en-1-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 2-[4-(2,4-dichlorophenyl)sulfanyl-3-nitro-phenyl]-1-piperazin-1-yl-prop-2-en-1-one CAS Name: acetyl fluoride; 2-[4-[(2,4-dichlorophenyl)thio]-3-nitrophenyl]-1-(1-piperazinyl)-2-propen-1-one IUPAC Name: acetyl fluoride; 2-[4-(2,4-dichlorophenyl)sulfanyl-3-nitrophenyl]-1-piperazin-1-ylprop-2-en-1-one Traditional Name: acetyl fluoride; 2-[4-[(2,4-dichlorophenyl)thio]-3-nitro-phenyl]-1-piperazino-prop-2-en-1-one Formula: C25H26Cl2F3N3O6S MolecularWeight: 624.45665

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.C=C(C1=CC(=C(C=C1)SC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-])C(=O)N3CCNCC3

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.C=C(C1=CC(=C(C=C1)SC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-])C(=O)N3CCNCC3

InChI

InChI=1S/C19H17Cl2N3O3S.3C2H3FO/c1-12(19(25)23-8-6-22-7-9-23)13-2-4-18(16(10-13)24(26)27)28-17-5-3-14(20)11-15(17)21;3*1-2(3)4/h2-5,10-11,22H,1,6-9H2;3*1H3