N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(methylsulfonylmethyl)benzamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(methylsulfonylmethyl)benzamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(methylsulfonylmethyl)benzamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-3-(methylsulfonylmethyl)benzamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(methylsulfonylmethyl)benzamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-3-(mesylmethyl)benzamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)CS(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)CS(=O)(=O)C)C

InChI

InChI=1S/C21H21N3O3S2/c1-14-11-15(2)23-21(22-14)28-19-9-7-18(8-10-19)24-20(25)17-6-4-5-16(12-17)13-29(3,26)27/h4-12H,13H2,1-3H3,(H,24,25)