3,3-dimethyl-4-(4-methylsulfonylpyrimidin-5-yl)-2,4-dihydrothiochromene 1,1-dioxide

Systemtic Name: 3,3-dimethyl-4-(4-methylsulfonylpyrimidin-5-yl)-2,4-dihydrothiochromene 1,1-dioxide Openeye Name: 3,3-dimethyl-4-(4-methylsulfonylpyrimidin-5-yl)-2,4-dihydrothiochromene 1,1-dioxide CAS Name: 3,3-dimethyl-4-(4-methylsulfonyl-5-pyrimidinyl)-2,4-dihydro-1-benzothiopyran 1,1-dioxide IUPAC Name: 3,3-dimethyl-4-(4-methylsulfonylpyrimidin-5-yl)-2,4-dihydrothiochromene 1,1-dioxide Traditional Name: 4-(4-mesylpyrimidin-5-yl)-3,3-dimethyl-2,4-dihydrothiochromene 1,1-dioxide Formula: C16H18N2O4S2 MolecularWeight: 366.45512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CS(=O)(=O)C2=CC=CC=C2C1C3=CN=CN=C3S(=O)(=O)C)C

Isomeric SMILES

CC1(CS(=O)(=O)C2=CC=CC=C2C1C3=CN=CN=C3S(=O)(=O)C)C

InChI

InChI=1S/C16H18N2O4S2/c1-16(2)9-24(21,22)13-7-5-4-6-11(13)14(16)12-8-17-10-18-15(12)23(3,19)20/h4-8,10,14H,9H2,1-3H3