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

Systemtic Name: 5-methoxy-3-methyl-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]inden-1-one Openeye Name: 5-methoxy-3-methyl-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]inden-1-one CAS Name: 5-methoxy-3-methyl-2-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-1-indenone IUPAC Name: 5-methoxy-3-methyl-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]inden-1-one Traditional Name: 5-methoxy-3-methyl-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]inden-1-one Formula: C25H20N2O2S MolecularWeight: 412.5035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C1C=C(C=C2)OC)CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)C2=C1C=C(C=C2)OC)CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N2O2S/c1-16-21-14-19(29-2)10-11-20(21)25(28)22(16)13-17-15-27(18-7-4-3-5-8-18)26-24(17)23-9-6-12-30-23/h3-12,14-15H,13H2,1-2H3