(2E)-6-methoxy-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-3H-inden-1-one

Systemtic Name: (2E)-6-methoxy-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-3H-inden-1-one Openeye Name: (2E)-6-methoxy-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]indan-1-one CAS Name: (2E)-6-methoxy-2-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylidene]-3H-inden-1-one IUPAC Name: (2E)-6-methoxy-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-3H-inden-1-one Traditional Name: (2E)-6-methoxy-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]indan-1-one Formula: C24H18N2O2S MolecularWeight: 398.47692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC2=C(C/C(=C\C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)/C2=O)C=C1

InChI

InChI=1S/C24H18N2O2S/c1-28-20-10-9-16-12-17(24(27)21(16)14-20)13-18-15-26(19-6-3-2-4-7-19)25-23(18)22-8-5-11-29-22/h2-11,13-15H,12H2,1H3/b17-13+