(5Z)-2-(azepan-1-yl)-5-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-1,3-thiazol-4-one

Systemtic Name: (5Z)-2-(azepan-1-yl)-5-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-1,3-thiazol-4-one Openeye Name: (5Z)-2-(azepan-1-yl)-5-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]thiazol-4-one CAS Name: (5Z)-2-(1-azepanyl)-5-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylidene]-4-thiazolone IUPAC Name: (5Z)-2-(azepan-1-yl)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-1,3-thiazol-4-one Traditional Name: (5Z)-2-(azepan-1-yl)-5-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-2-thiazolin-4-one Formula: C23H22N4OS2 MolecularWeight: 434.57698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=O)C(=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)S2

Isomeric SMILES

C1CCCN(CC1)C2=NC(=O)/C(=C/C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)/S2

InChI

InChI=1S/C23H22N4OS2/c28-22-20(30-23(24-22)26-12-6-1-2-7-13-26)15-17-16-27(18-9-4-3-5-10-18)25-21(17)19-11-8-14-29-19/h3-5,8-11,14-16H,1-2,6-7,12-13H2/b20-15-