S-[2,3-bis(chloranyl)phenyl] 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carbothioate

Systemtic Name: S-[2,3-bis(chloranyl)phenyl] 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carbothioate Openeye Name: S-(2,3-dichlorophenyl) 5-methyl-1-(p-tolylmethyl)pyrazole-3-carbothioate CAS Name: 5-methyl-1-[(4-methylphenyl)methyl]-3-pyrazolecarbothioic acid S-(2,3-dichlorophenyl) ester IUPAC Name: S-(2,3-dichlorophenyl) 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carbothioate Traditional Name: 5-methyl-1-(4-methylbenzyl)pyrazole-3-carbothioic acid S-(2,3-dichlorophenyl) ester Formula: C19H16Cl2N2OS MolecularWeight: 391.31414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16Cl2N2OS/c1-12-6-8-14(9-7-12)11-23-13(2)10-16(22-23)19(24)25-17-5-3-4-15(20)18(17)21/h3-10H,11H2,1-2H3