S-(4-chlorophenyl) 1-methyl-5-pyrrol-1-yl-pyrazole-4-carbothioate

Systemtic Name: S-(4-chlorophenyl) 1-methyl-5-pyrrol-1-yl-pyrazole-4-carbothioate Openeye Name: S-(4-chlorophenyl) 1-methyl-5-pyrrol-1-yl-pyrazole-4-carbothioate CAS Name: 1-methyl-5-(1-pyrrolyl)-4-pyrazolecarbothioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carbothioate Traditional Name: 1-methyl-5-pyrrol-1-yl-pyrazole-4-carbothioic acid S-(4-chlorophenyl) ester Formula: C15H12ClN3OS MolecularWeight: 317.79328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)SC2=CC=C(C=C2)Cl)N3C=CC=C3

Isomeric SMILES

CN1C(=C(C=N1)C(=O)SC2=CC=C(C=C2)Cl)N3C=CC=C3

InChI

InChI=1S/C15H12ClN3OS/c1-18-14(19-8-2-3-9-19)13(10-17-18)15(20)21-12-6-4-11(16)5-7-12/h2-10H,1H3