[4-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]phenyl]methanesulfinic acid

Systemtic Name: [4-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]phenyl]methanesulfinic acid Openeye Name: [4-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)thiazol-2-yl]phenyl]methanesulfinic acid CAS Name: [4-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-2-thiazolyl]phenyl]methanesulfinic acid IUPAC Name: [4-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]phenyl]methanesulfinic acid Traditional Name: [4-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)thiazol-2-yl]phenyl]methanesulfinic acid Formula: C23H20N2O2S2 MolecularWeight: 420.5471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(SC(=N2)C3=CC=C(C=C3)CS(=O)O)C4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(SC(=N2)C3=CC=C(C=C3)CS(=O)O)C4=CC=NC=C4)C

InChI

InChI=1S/C23H20N2O2S2/c1-15-11-16(2)13-20(12-15)21-22(18-7-9-24-10-8-18)28-23(25-21)19-5-3-17(4-6-19)14-29(26)27/h3-13H,14H2,1-2H3,(H,26,27)