4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-prop-2-enyl-pyrazole-1-carbothioamide

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-prop-2-enyl-pyrazole-1-carbothioamide Openeye Name: N-allyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]pyrazole-1-carbothioamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-enyl-1-pyrazolecarbothioamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-prop-2-enylpyrazole-1-carbothioamide Traditional Name: N-allyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]pyrazole-1-carbothioamide Formula: C13H10ClF3N4S MolecularWeight: 346.75851

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1C=C(C=N1)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C=CCNC(=S)N1C=C(C=N1)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C13H10ClF3N4S/c1-2-3-18-12(22)21-7-8(5-20-21)11-10(14)4-9(6-19-11)13(15,16)17/h2,4-7H,1,3H2,(H,18,22)