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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 4-butoxybenzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3S/c1-3-4-19-31-23-17-15-21(16-18-23)27(30)32-26-25(33-24-13-9-6-10-14-24)20(2)28-29(26)22-11-7-5-8-12-22/h5-18H,3-4,19H2,1-2H3