(E)-3-[3-(4-chlorophenyl)-1-adamantyl]-1-(4-phenylthiophen-2-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-(4-chlorophenyl)-1-adamantyl]-1-(4-phenylthiophen-2-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-(4-chlorophenyl)-1-adamantyl]-1-(4-phenyl-2-thienyl)prop-2-en-1-one CAS Name: (E)-3-[3-(4-chlorophenyl)-1-adamantyl]-1-(4-phenyl-2-thiophenyl)-2-propen-1-one IUPAC Name: (E)-3-[3-(4-chlorophenyl)-1-adamantyl]-1-(4-phenylthiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-(4-chlorophenyl)-1-adamantyl]-1-(4-phenyl-2-thienyl)prop-2-en-1-one Formula: C29H27ClOS MolecularWeight: 459.04208

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)Cl)C=CC(=O)C5=CC(=CS5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)Cl)/C=C/C(=O)C5=CC(=CS5)C6=CC=CC=C6

InChI

InChI=1S/C29H27ClOS/c30-25-8-6-24(7-9-25)29-16-20-12-21(17-29)15-28(14-20,19-29)11-10-26(31)27-13-23(18-32-27)22-4-2-1-3-5-22/h1-11,13,18,20-21H,12,14-17,19H2/b11-10+