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

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-methyl-pyrazole-4-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-methylpyrazole-4-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-methyl-pyrazole-4-carboxamide Formula: C13H14ClN3OS MolecularWeight: 295.78776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C=C(C=N1)C(=O)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClN3OS/c1-17-9-10(8-16-17)13(18)15-6-7-19-12-4-2-11(14)3-5-12/h2-5,8-9H,6-7H2,1H3,(H,15,18)