(1-methyl-3-phenyl-5-phenylsulfanyl-pyrazol-4-yl)methyl 3,4-bis(chloranyl)benzoate

Systemtic Name: (1-methyl-3-phenyl-5-phenylsulfanyl-pyrazol-4-yl)methyl 3,4-bis(chloranyl)benzoate Openeye Name: (1-methyl-3-phenyl-5-phenylsulfanyl-pyrazol-4-yl)methyl 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [1-methyl-3-phenyl-5-(phenylthio)-4-pyrazolyl]methyl ester IUPAC Name: (1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methyl 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [1-methyl-3-phenyl-5-(phenylthio)pyrazol-4-yl]methyl ester Formula: C24H18Cl2N2O2S MolecularWeight: 469.38292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)COC(=O)C3=CC(=C(C=C3)Cl)Cl)SC4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)COC(=O)C3=CC(=C(C=C3)Cl)Cl)SC4=CC=CC=C4

InChI

InChI=1S/C24H18Cl2N2O2S/c1-28-23(31-18-10-6-3-7-11-18)19(22(27-28)16-8-4-2-5-9-16)15-30-24(29)17-12-13-20(25)21(26)14-17/h2-14H,15H2,1H3