S-(phenylmethyl) 1-[[2,6-bis(chloranyl)phenyl]methyl]-5-methyl-pyrazole-3-carbothioate

Systemtic Name: S-(phenylmethyl) 1-[[2,6-bis(chloranyl)phenyl]methyl]-5-methyl-pyrazole-3-carbothioate Openeye Name: S-benzyl 1-[(2,6-dichlorophenyl)methyl]-5-methyl-pyrazole-3-carbothioate CAS Name: 1-[(2,6-dichlorophenyl)methyl]-5-methyl-3-pyrazolecarbothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazole-3-carbothioate Traditional Name: 1-(2,6-dichlorobenzyl)-5-methyl-pyrazole-3-carbothioic acid S-benzyl ester Formula: C19H16Cl2N2OS MolecularWeight: 391.31414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(C=CC=C2Cl)Cl)C(=O)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NN1CC2=C(C=CC=C2Cl)Cl)C(=O)SCC3=CC=CC=C3

InChI

InChI=1S/C19H16Cl2N2OS/c1-13-10-18(19(24)25-12-14-6-3-2-4-7-14)22-23(13)11-15-16(20)8-5-9-17(15)21/h2-10H,11-12H2,1H3