2-[(3-chlorophenyl)methylsulfanyl]-5-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-(2-indolin-1-yl-2-oxo-ethyl)-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-5-(2-indolin-1-yl-2-keto-ethyl)-6-methyl-1H-pyrimidin-4-one Formula: C22H20ClN3O2S MolecularWeight: 425.9311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H20ClN3O2S/c1-14-18(12-20(27)26-10-9-16-6-2-3-8-19(16)26)21(28)25-22(24-14)29-13-15-5-4-7-17(23)11-15/h2-8,11H,9-10,12-13H2,1H3,(H,24,25,28)