4-[[2,5-bis(chloranyl)phenyl]carbamothioylamino]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-[[2,5-bis(chloranyl)phenyl]carbamothioylamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-[(2,5-dichlorophenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-[[(2,5-dichloroanilino)-sulfanylidenemethyl]amino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[(2,5-dichlorophenyl)carbamothioylamino]-1-methylpyrazole-3-carboxamide Traditional Name: 4-[(2,5-dichlorophenyl)thiocarbamoylamino]-1-methyl-pyrazole-3-carboxamide Formula: C12H11Cl2N5OS MolecularWeight: 344.21964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C12H11Cl2N5OS/c1-19-5-9(10(18-19)11(15)20)17-12(21)16-8-4-6(13)2-3-7(8)14/h2-5H,1H3,(H2,15,20)(H2,16,17,21)