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

Systemtic Name: 4-[(4-chlorophenyl)methylcarbamothioylamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-[(4-chlorophenyl)methylcarbamothioylamino]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-[[[(4-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[(4-chlorophenyl)methylcarbamothioylamino]-1-methylpyrazole-3-carboxamide Traditional Name: 4-[(4-chlorobenzyl)thiocarbamoylamino]-1-methyl-pyrazole-3-carboxamide Formula: C13H14ClN5OS MolecularWeight: 323.80116

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N)NC(=S)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N)NC(=S)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClN5OS/c1-19-7-10(11(18-19)12(15)20)17-13(21)16-6-8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H2,15,20)(H2,16,17,21)