1-[5-[3-(2,3,4-trimethyl-6-phenylmethoxy-phenyl)thiophen-2-yl]pyridin-3-yl]propan-2-one

Systemtic Name: 1-[5-[3-(2,3,4-trimethyl-6-phenylmethoxy-phenyl)thiophen-2-yl]pyridin-3-yl]propan-2-one Openeye Name: 1-[5-[3-(6-benzyloxy-2,3,4-trimethyl-phenyl)-2-thienyl]-3-pyridyl]propan-2-one CAS Name: 1-[5-[3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)-2-thiophenyl]-3-pyridinyl]-2-propanone IUPAC Name: 1-[5-[3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-2-yl]pyridin-3-yl]propan-2-one Traditional Name: 1-[5-[3-(6-benzoxy-2,3,4-trimethyl-phenyl)-2-thienyl]-3-pyridyl]acetone Formula: C28H27NO2S MolecularWeight: 441.58448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)C)C2=C(SC=C2)C3=CC(=CN=C3)CC(=O)C)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C(=C1C)C)C2=C(SC=C2)C3=CC(=CN=C3)CC(=O)C)OCC4=CC=CC=C4

InChI

InChI=1S/C28H27NO2S/c1-18-12-26(31-17-22-8-6-5-7-9-22)27(21(4)20(18)3)25-10-11-32-28(25)24-14-23(13-19(2)30)15-29-16-24/h5-12,14-16H,13,17H2,1-4H3