8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-pyrimidin-5-yl-ethenyl]phenyl]-6-propan-2-yl-quinoline

Systemtic Name: 8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-pyrimidin-5-yl-ethenyl]phenyl]-6-propan-2-yl-quinoline Openeye Name: 6-isopropyl-8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-pyrimidin-5-yl-vinyl]phenyl]quinoline CAS Name: 8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-(5-pyrimidinyl)ethenyl]phenyl]-6-propan-2-ylquinoline IUPAC Name: 8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-pyrimidin-5-ylethenyl]phenyl]-6-propan-2-ylquinoline Traditional Name: 6-isopropyl-8-[3-[(E)-2-(4-mesylphenyl)-2-(5-pyrimidyl)vinyl]phenyl]quinoline Formula: C31H27N3O2S MolecularWeight: 505.62998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C=C(C4=CC=C(C=C4)S(=O)(=O)C)C5=CN=CN=C5

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)/C=C(\C4=CC=C(C=C4)S(=O)(=O)C)/C5=CN=CN=C5

InChI

InChI=1S/C31H27N3O2S/c1-21(2)26-16-25-8-5-13-34-31(25)30(17-26)24-7-4-6-22(14-24)15-29(27-18-32-20-33-19-27)23-9-11-28(12-10-23)37(3,35)36/h4-21H,1-3H3/b29-15+