1-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanylpropan-2-one

Systemtic Name: 1-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanylpropan-2-one Openeye Name: 1-[4-(2,2-dimethylchroman-6-yl)pyrimidin-2-yl]sulfanylpropan-2-one CAS Name: 1-[[4-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-2-pyrimidinyl]thio]-2-propanone IUPAC Name: 1-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanylpropan-2-one Traditional Name: 1-[[4-(2,2-dimethylchroman-6-yl)pyrimidin-2-yl]thio]acetone Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC=CC(=N1)C2=CC3=C(C=C2)OC(CC3)(C)C

Isomeric SMILES

CC(=O)CSC1=NC=CC(=N1)C2=CC3=C(C=C2)OC(CC3)(C)C

InChI

InChI=1S/C18H20N2O2S/c1-12(21)11-23-17-19-9-7-15(20-17)13-4-5-16-14(10-13)6-8-18(2,3)22-16/h4-5,7,9-10H,6,8,11H2,1-3H3