3-(4-chlorophenyl)-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-chlorophenyl)-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide CAS Name: 3-(4-chlorophenyl)-N-(2-mercaptoethyl)-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-chlorophenyl)-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-chlorophenyl)-N-(2-mercaptoethyl)-1H-pyrazole-5-carboxamide Formula: C12H12ClN3OS MolecularWeight: 281.76118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=C2)C(=O)NCCS)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=C2)C(=O)NCCS)Cl

InChI

InChI=1S/C12H12ClN3OS/c13-9-3-1-8(2-4-9)10-7-11(16-15-10)12(17)14-5-6-18/h1-4,7,18H,5-6H2,(H,14,17)(H,15,16)