(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 3-methylbenzoate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 3-methylbenzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 3-methylbenzoate CAS Name: 3-methylbenzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C24H20N2O2S MolecularWeight: 400.4928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4

InChI

InChI=1S/C24H20N2O2S/c1-17-10-9-11-19(16-17)24(27)28-23-22(29-21-14-7-4-8-15-21)18(2)25-26(23)20-12-5-3-6-13-20/h3-16H,1-2H3