4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-5-[2-(phenylmethylsulfanyl)pyridin-4-yl]-1,3-thiazole

Systemtic Name: 4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-5-[2-(phenylmethylsulfanyl)pyridin-4-yl]-1,3-thiazole Openeye Name: 5-(2-benzylsulfanyl-4-pyridyl)-2-(4-methylsulfonylphenyl)-4-(m-tolyl)thiazole CAS Name: 4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-5-[2-(phenylmethylthio)-4-pyridinyl]thiazole IUPAC Name: 5-(2-benzylsulfanylpyridin-4-yl)-4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole Traditional Name: 5-[2-(benzylthio)-4-pyridyl]-2-(4-mesylphenyl)-4-(m-tolyl)thiazole Formula: C29H24N2O2S3 MolecularWeight: 528.70806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(SC(=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC(=NC=C4)SCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(SC(=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC(=NC=C4)SCC5=CC=CC=C5

InChI

InChI=1S/C29H24N2O2S3/c1-20-7-6-10-23(17-20)27-28(35-29(31-27)22-11-13-25(14-12-22)36(2,32)33)24-15-16-30-26(18-24)34-19-21-8-4-3-5-9-21/h3-18H,19H2,1-2H3