(4Z)-5-methyl-2-phenyl-4-[[4-(thietan-3-yloxy)phenyl]methylidene]pyrazol-3-one

Systemtic Name: (4Z)-5-methyl-2-phenyl-4-[[4-(thietan-3-yloxy)phenyl]methylidene]pyrazol-3-one Openeye Name: (4Z)-5-methyl-2-phenyl-4-[[4-(thietan-3-yloxy)phenyl]methylene]pyrazol-3-one CAS Name: (4Z)-5-methyl-2-phenyl-4-[[4-(3-thietanyloxy)phenyl]methylidene]-3-pyrazolone IUPAC Name: (4Z)-5-methyl-2-phenyl-4-[[4-(thietan-3-yloxy)phenyl]methylidene]pyrazol-3-one Traditional Name: (4Z)-5-methyl-2-phenyl-4-[4-(thietan-3-yloxy)benzylidene]-2-pyrazolin-3-one Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OC3CSC3)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)OC3CSC3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N2O2S/c1-14-19(20(23)22(21-14)16-5-3-2-4-6-16)11-15-7-9-17(10-8-15)24-18-12-25-13-18/h2-11,18H,12-13H2,1H3/b19-11-