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

Systemtic Name: 4-[(4-chlorophenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-[(4-chlorophenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[(4-chlorophenyl)carbamothioylamino]-1-methylpyrazole-3-carboxamide Traditional Name: 4-[(4-chlorophenyl)thiocarbamoylamino]-1-methyl-pyrazole-3-carboxamide Formula: C12H12ClN5OS MolecularWeight: 309.77458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN5OS/c1-18-6-9(10(17-18)11(14)19)16-12(20)15-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,14,19)(H2,15,16,20)