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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 3,4-diethoxybenzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4)OCC

InChI

InChI=1S/C27H26N2O4S/c1-4-31-23-17-16-20(18-24(23)32-5-2)27(30)33-26-25(34-22-14-10-7-11-15-22)19(3)28-29(26)21-12-8-6-9-13-21/h6-18H,4-5H2,1-3H3