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

Systemtic Name: 1-(4-chlorophenyl)-2-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(4-chlorophenyl)-2-[4-(2,2-dimethylchroman-6-yl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-chlorophenyl)-2-[[4-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-chlorophenyl)-2-[[4-(2,2-dimethylchroman-6-yl)pyrimidin-2-yl]thio]ethanone Formula: C23H21ClN2O2S MolecularWeight: 424.94304

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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=C(C=C4)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN2O2S/c1-23(2)11-9-17-13-16(5-8-21(17)28-23)19-10-12-25-22(26-19)29-14-20(27)15-3-6-18(24)7-4-15/h3-8,10,12-13H,9,11,14H2,1-2H3