2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]ethanamide

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]ethanamide Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]acetamide CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]acetamide IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]acetamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide Formula: C18H16F3N5O4S MolecularWeight: 455.41095

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16F3N5O4S/c19-18(20,21)11-1-3-14(13(7-11)26(29)30)31-10-17(28)24-12-2-4-15(23-8-12)25-6-5-22-16(27)9-25/h1-4,7-8H,5-6,9-10H2,(H,22,27)(H,24,28)