5-methoxy-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]inden-1-one

Systemtic Name: 5-methoxy-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]inden-1-one Openeye Name: 5-methoxy-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]inden-1-one CAS Name: 5-methoxy-2-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-1-indenone IUPAC Name: 5-methoxy-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]inden-1-one Traditional Name: 5-methoxy-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]inden-1-one Formula: C24H18N2O2S MolecularWeight: 398.47692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C(=C2)CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)C(=C2)CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C24H18N2O2S/c1-28-20-9-10-21-16(14-20)12-17(24(21)27)13-18-15-26(19-6-3-2-4-7-19)25-23(18)22-8-5-11-29-22/h2-12,14-15H,13H2,1H3