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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-ethoxybenzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3S/c1-3-29-22-17-11-10-16-21(22)25(28)30-24-23(31-20-14-8-5-9-15-20)18(2)26-27(24)19-12-6-4-7-13-19/h4-17H,3H2,1-2H3