1-ethyl-4-[(4-fluorophenyl)methylcarbamothioylamino]pyrazole-3-carboxamide

Systemtic Name: 1-ethyl-4-[(4-fluorophenyl)methylcarbamothioylamino]pyrazole-3-carboxamide Openeye Name: 1-ethyl-4-[(4-fluorophenyl)methylcarbamothioylamino]pyrazole-3-carboxamide CAS Name: 1-ethyl-4-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]-3-pyrazolecarboxamide IUPAC Name: 1-ethyl-4-[(4-fluorophenyl)methylcarbamothioylamino]pyrazole-3-carboxamide Traditional Name: 1-ethyl-4-[(4-fluorobenzyl)thiocarbamoylamino]pyrazole-3-carboxamide Formula: C14H16FN5OS MolecularWeight: 321.373143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N)NC(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N)NC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C14H16FN5OS/c1-2-20-8-11(12(19-20)13(16)21)18-14(22)17-7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H2,16,21)(H2,17,18,22)