N-{[(3-Chlorophenyl)carbamoyl]oxy}{[3-(trifluoromethyl)pyridin-2-yl]sulfanyl}ethanimidamide

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Basic information

CAS: 263762-16-9
Standard SMILES: N/C(CSc1ncccc1C(F)(F)F)=N\OC(=O)Nc1cccc(Cl)c1
InChIKey: AJPOLUMZHIWDAD-UHFFFAOYSA-N
Molecular formula: C15H12ClF3N4O2S
Average molar mass: 404.8 g/mol
Monoisotopic mass: 404.032159

Names & identifiers

Preferred name: N-{[(3-Chlorophenyl)carbamoyl]oxy}{[3-(trifluoromethyl)pyridin-2-yl]sulfanyl}ethanimidamide
IUPAC: [(Z)-[1-amino-2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethylidene]amino] N-(3-chlorophenyl)carbamate

Names & synonyms

DTXSID101114702CCG-41550SR-01000631616-1N-{[(3-Chlorophenyl)carbamoyl]oxy}{[3-(trifluoromethyl)pyridin-2-yl]sulfanyl}ethanimidamide263762-16-9Ethanimidamide, N-[[[(3-chlorophenyl)amino]carbonyl]oxy]-2-[[3-(trifluoromethyl)-2-pyridinyl]thio]-

Database identifiers

CAS: 263762-16-9
PubChem CID: 9580947
DTXSID: DTXSID101114702

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 115 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 26
Formal charge: 0
Complexity: 510

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Compound notes

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