4-[(4-chlorophenyl)methylcarbamothioylamino]-2-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(4-chlorophenyl)methylcarbamothioylamino]-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[(4-chlorophenyl)methylcarbamothioylamino]-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[[(4-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[(4-chlorophenyl)methylcarbamothioylamino]-2-ethylpyrazole-3-carboxamide Traditional Name: 4-[(4-chlorobenzyl)thiocarbamoylamino]-2-ethyl-pyrazole-3-carboxamide Formula: C14H16ClN5OS MolecularWeight: 337.82774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN5OS/c1-2-20-12(13(16)21)11(8-18-20)19-14(22)17-7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H2,16,21)(H2,17,19,22)