2-isoquinolin-5-yl-4-(4-methylsulfonylphenyl)-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1,3-thiazole

Systemtic Name: 2-isoquinolin-5-yl-4-(4-methylsulfonylphenyl)-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1,3-thiazole Openeye Name: 2-(5-isoquinolyl)-5-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]-4-(4-methylsulfonylphenyl)thiazole CAS Name: 2-(5-isoquinolinyl)-4-(4-methylsulfonylphenyl)-5-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]thiazole IUPAC Name: 2-isoquinolin-5-yl-4-(4-methylsulfonylphenyl)-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1,3-thiazole Traditional Name: 2-(5-isoquinolyl)-5-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]-4-(4-mesylphenyl)thiazole Formula: C38H31N3O4S3 MolecularWeight: 689.86544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C4=C(N=C(S4)C5=CC=CC6=C5C=CN=C6)C7=CC=C(C=C7)S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C4=C(N=C(S4)C5=CC=CC6=C5C=CN=C6)C7=CC=C(C=C7)S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C38H31N3O4S3/c1-38(2,48(4,44)45)29-21-26-11-7-18-40-34(26)33(22-29)25-8-5-9-27(20-25)36-35(24-13-15-30(16-14-24)47(3,42)43)41-37(46-36)32-12-6-10-28-23-39-19-17-31(28)32/h5-23H,1-4H3