2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C15H17ClFN5OS MolecularWeight: 369.844783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CNC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CNC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C15H17ClFN5OS/c1-8-14(9(2)22(3)21-8)20-13(23)7-18-15(24)19-10-4-5-12(17)11(16)6-10/h4-6H,7H2,1-3H3,(H,20,23)(H2,18,19,24)