S-(4-acetamidophenyl) 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carbothioate

Systemtic Name: S-(4-acetamidophenyl) 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carbothioate Openeye Name: S-(4-acetamidophenyl) 5-methyl-1-(p-tolylmethyl)pyrazole-3-carbothioate CAS Name: 5-methyl-1-[(4-methylphenyl)methyl]-3-pyrazolecarbothioic acid S-(4-acetamidophenyl) ester IUPAC Name: S-(4-acetamidophenyl) 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carbothioate Traditional Name: 5-methyl-1-(4-methylbenzyl)pyrazole-3-carbothioic acid S-(4-acetamidophenyl) ester Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=CC(=N2)C(=O)SC3=CC=C(C=C3)NC(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=CC(=N2)C(=O)SC3=CC=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C21H21N3O2S/c1-14-4-6-17(7-5-14)13-24-15(2)12-20(23-24)21(26)27-19-10-8-18(9-11-19)22-16(3)25/h4-12H,13H2,1-3H3,(H,22,25)