[4-(5-methyl-4-nitro-thiophen-2-yl)carbonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

Systemtic Name: [4-(5-methyl-4-nitro-thiophen-2-yl)carbonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone Openeye Name: [4-(5-methyl-4-nitro-thiophene-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone CAS Name: [4-[(5-methyl-4-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-[2-(trifluoromethyl)phenyl]methanone IUPAC Name: [4-(5-methyl-4-nitrothiophene-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone Traditional Name: [4-(5-methyl-4-nitro-thiophene-2-carbonyl)piperazino]-[2-(trifluoromethyl)phenyl]methanone Formula: C18H16F3N3O4S MolecularWeight: 427.39755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16F3N3O4S/c1-11-14(24(27)28)10-15(29-11)17(26)23-8-6-22(7-9-23)16(25)12-4-2-3-5-13(12)18(19,20)21/h2-5,10H,6-9H2,1H3