methyl 2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanoate Openeye Name: methyl 2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetate CAS Name: 2-[[4-(1-pyrazolyl)phenyl]methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-pyrazol-1-ylbenzyl)thio]acetic acid methyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=CC=C(C=C1)N2C=CC=N2

Isomeric SMILES

COC(=O)CSCC1=CC=C(C=C1)N2C=CC=N2

InChI

InChI=1S/C13H14N2O2S/c1-17-13(16)10-18-9-11-3-5-12(6-4-11)15-8-2-7-14-15/h2-8H,9-10H2,1H3