(1-methyl-3-phenyl-5-phenylsulfanyl-pyrazol-4-yl)methyl 3-chloranylbenzoate

Systemtic Name: (1-methyl-3-phenyl-5-phenylsulfanyl-pyrazol-4-yl)methyl 3-chloranylbenzoate Openeye Name: (1-methyl-3-phenyl-5-phenylsulfanyl-pyrazol-4-yl)methyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [1-methyl-3-phenyl-5-(phenylthio)-4-pyrazolyl]methyl ester IUPAC Name: (1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [1-methyl-3-phenyl-5-(phenylthio)pyrazol-4-yl]methyl ester Formula: C24H19ClN2O2S MolecularWeight: 434.93786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19ClN2O2S/c1-27-23(30-20-13-6-3-7-14-20)21(22(26-27)17-9-4-2-5-10-17)16-29-24(28)18-11-8-12-19(25)15-18/h2-15H,16H2,1H3