5-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)-4,5-dihydro-1H-pyrazole

Systemtic Name: 5-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)-4,5-dihydro-1H-pyrazole Openeye Name: 5-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)-4,5-dihydro-1H-pyrazole CAS Name: 5-(3,4-dimethoxyphenyl)-3-[4-(methylthio)phenyl]-4,5-dihydro-1H-pyrazole IUPAC Name: 5-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)-4,5-dihydro-1H-pyrazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-[4-(methylthio)phenyl]-2-pyrazoline Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2)C3=CC=C(C=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=NN2)C3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C18H20N2O2S/c1-21-17-9-6-13(10-18(17)22-2)16-11-15(19-20-16)12-4-7-14(23-3)8-5-12/h4-10,16,20H,11H2,1-3H3