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

Systemtic Name: 3-(3,4-dichlorophenyl)-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide Openeye Name: 3-(3,4-dichlorophenyl)-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide CAS Name: 3-(3,4-dichlorophenyl)-N-(2-mercaptoethyl)-1H-pyrazole-5-carboxamide IUPAC Name: 3-(3,4-dichlorophenyl)-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(3,4-dichlorophenyl)-N-(2-mercaptoethyl)-1H-pyrazole-5-carboxamide Formula: C12H11Cl2N3OS MolecularWeight: 316.20624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11Cl2N3OS/c13-8-2-1-7(5-9(8)14)10-6-11(17-16-10)12(18)15-3-4-19/h1-2,5-6,19H,3-4H2,(H,15,18)(H,16,17)