2-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[4-(2,2-dimethylchroman-6-yl)pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[4-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-2-pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[4-(2,2-dimethylchroman-6-yl)pyrimidin-2-yl]thio]-1-phenyl-ethanone Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(O1)C=CC(=C2)C3=NC(=NC=C3)SCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CCC2=C(O1)C=CC(=C2)C3=NC(=NC=C3)SCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C23H22N2O2S/c1-23(2)12-10-18-14-17(8-9-21(18)27-23)19-11-13-24-22(25-19)28-15-20(26)16-6-4-3-5-7-16/h3-9,11,13-14H,10,12,15H2,1-2H3