(4-pyrazol-1-ylphenyl)methyl 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C19H18N2O3S/c1-23-18-12-16(25-2)8-9-17(18)19(22)24-13-14-4-6-15(7-5-14)21-11-3-10-20-21/h3-12H,13H2,1-2H3