4-[(2-chlorophenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(2-chlorophenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[(2-chlorophenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[(2-chloroanilino)-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[(2-chlorophenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide Traditional Name: 4-[(2-chlorophenyl)thiocarbamoylamino]-1-ethyl-pyrazole-3-carboxamide Formula: C13H14ClN5OS MolecularWeight: 323.80116

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=CC=C2Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=CC=C2Cl

InChI

InChI=1S/C13H14ClN5OS/c1-2-19-7-10(11(18-19)12(15)20)17-13(21)16-9-6-4-3-5-8(9)14/h3-7H,2H2,1H3,(H2,15,20)(H2,16,17,21)