(E)-1-(1-adamantyl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(1-adamantyl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-en-1-one Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C=CC4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)/C=C/C4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6

InChI

InChI=1S/C26H26N2OS/c29-24(26-14-18-11-19(15-26)13-20(12-18)16-26)9-8-21-17-28(22-5-2-1-3-6-22)27-25(21)23-7-4-10-30-23/h1-10,17-20H,11-16H2/b9-8+