methyl 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]ethanoate Openeye Name: methyl 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]acetate CAS Name: 2-[(1,3-diphenyl-4-pyrazolyl)methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(1,3-diphenylpyrazol-4-yl)methylthio]acetic acid methyl ester Formula: C19H18N2O2S MolecularWeight: 338.42342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CSCC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

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