4-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]-2-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[(5-chloro-2-methyl-phenyl)carbamothioylamino]-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[(5-chloro-2-methylphenyl)carbamothioylamino]-2-ethylpyrazole-3-carboxamide Traditional Name: 4-[(5-chloro-2-methyl-phenyl)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)NC2=C(C=CC(=C2)Cl)C)C(=O)N

Isomeric SMILES

CCN1C(=C(C=N1)NC(=S)NC2=C(C=CC(=C2)Cl)C)C(=O)N

InChI

InChI=1S/C14H16ClN5OS/c1-3-20-12(13(16)21)11(7-17-20)19-14(22)18-10-6-9(15)5-4-8(10)2/h4-7H,3H2,1-2H3,(H2,16,21)(H2,18,19,22)