N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-methyl-pyrazole-4-carboxamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-methylpyrazole-4-carboxamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-1-methyl-pyrazole-4-carboxamide Formula: C14H16ClN3OS MolecularWeight: 309.81434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)NCCSCC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C=C(C=N1)C(=O)NCCSCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClN3OS/c1-18-9-12(8-17-18)14(19)16-6-7-20-10-11-2-4-13(15)5-3-11/h2-5,8-9H,6-7,10H2,1H3,(H,16,19)