4-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[(3-chloro-4-methyl-phenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[(3-chloro-4-methylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide Traditional Name: 4-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]-1-ethyl-pyrazole-3-carboxamide Formula: C14H16ClN5OS MolecularWeight: 337.82774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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