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

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methylsulfonyl-benzamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methylsulfonyl-benzamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-4-methylsulfonylbenzamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methylsulfonylbenzamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-4-mesyl-benzamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S2/c1-13-12-14(2)22-20(21-13)27-17-8-6-16(7-9-17)23-19(24)15-4-10-18(11-5-15)28(3,25)26/h4-12H,1-3H3,(H,23,24)