N-[3-nitro-4-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-phenyl]piperidine-1-carboxamide

Systemtic Name: N-[3-nitro-4-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-phenyl]piperidine-1-carboxamide Openeye Name: N-[3-nitro-4-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-phenyl]piperidine-1-carboxamide CAS Name: N-[3-nitro-4-[[2-(trifluoromethyl)-4-pyrimidinyl]thio]phenyl]-1-piperidinecarboxamide IUPAC Name: N-[3-nitro-4-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylphenyl]piperidine-1-carboxamide Traditional Name: N-[3-nitro-4-[[2-(trifluoromethyl)pyrimidin-4-yl]thio]phenyl]piperidine-1-carboxamide Formula: C17H16F3N5O3S MolecularWeight: 427.40085

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)NC2=CC(=C(C=C2)SC3=NC(=NC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)NC2=CC(=C(C=C2)SC3=NC(=NC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16F3N5O3S/c18-17(19,20)15-21-7-6-14(23-15)29-13-5-4-11(10-12(13)25(27)28)22-16(26)24-8-2-1-3-9-24/h4-7,10H,1-3,8-9H2,(H,22,26)