4-chloranyl-2-methyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-2-methyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-pyrazole-3-carboxamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-4-chloro-2-methyl-pyrazole-3-carboxamide CAS Name: 4-chloro-2-methyl-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-4-chloro-2-methylpyrazole-3-carboxamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-4-chloro-2-methyl-pyrazole-3-carboxamide Formula: C17H20ClN5OS MolecularWeight: 377.8916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Cl)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C=N1)Cl)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H20ClN5OS/c1-21-15(14(18)11-19-21)16(24)20-17(25)23-9-7-22(8-10-23)12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,20,24,25)