methyl 2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]thio]acetic acid methyl ester Formula: C17H14ClN3O2S MolecularWeight: 359.82996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NNC(=C1C2=CC=NC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CSC1=NNC(=C1C2=CC=NC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN3O2S/c1-23-14(22)10-24-17-15(11-6-8-19-9-7-11)16(20-21-17)12-2-4-13(18)5-3-12/h2-9H,10H2,1H3,(H,20,21)