methyl 4-[(4-pyrazol-1-ylphenyl)methylsulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(4-pyrazol-1-ylphenyl)methylsulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-pyrazol-1-ylphenyl)methylsulfanylmethyl]benzoate CAS Name: 4-[[[4-(1-pyrazolyl)phenyl]methylthio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-pyrazol-1-ylphenyl)methylsulfanylmethyl]benzoate Traditional Name: 4-[[(4-pyrazol-1-ylbenzyl)thio]methyl]benzoic acid methyl ester Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C19H18N2O2S/c1-23-19(22)17-7-3-15(4-8-17)13-24-14-16-5-9-18(10-6-16)21-12-2-11-20-21/h2-12H,13-14H2,1H3