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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 3,4,5-triethoxybenzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C29H30N2O5S MolecularWeight: 518.6239

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4

InChI

InChI=1S/C29H30N2O5S/c1-5-33-24-18-21(19-25(34-6-2)26(24)35-7-3)29(32)36-28-27(37-23-16-12-9-13-17-23)20(4)30-31(28)22-14-10-8-11-15-22/h8-19H,5-7H2,1-4H3