(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2,5-bis(chloranyl)benzoate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2,5-bis(chloranyl)benzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2,5-dichlorobenzoate CAS Name: 2,5-dichlorobenzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 2,5-dichlorobenzoate Traditional Name: 2,5-dichlorobenzoic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C23H16Cl2N2O2S MolecularWeight: 455.35634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H16Cl2N2O2S/c1-15-21(30-18-10-6-3-7-11-18)22(27(26-15)17-8-4-2-5-9-17)29-23(28)19-14-16(24)12-13-20(19)25/h2-14H,1H3