N-(4-nitrophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(4-nitrophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Openeye Name: N-(4-nitrophenyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide CAS Name: N-(4-nitrophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-nitrophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Traditional Name: N-(4-nitrophenyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide Formula: C17H16F3N5O2S MolecularWeight: 411.40145

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16F3N5O2S/c18-17(19,20)12-1-6-15(21-11-12)23-7-9-24(10-8-23)16(28)22-13-2-4-14(5-3-13)25(26)27/h1-6,11H,7-10H2,(H,22,28)