2-(2-chlorophenyl)-5-pyrimidin-2-ylsulfanyl-4-(2,3,4-trimethoxyphenyl)-1,3-oxazole

Systemtic Name: 2-(2-chlorophenyl)-5-pyrimidin-2-ylsulfanyl-4-(2,3,4-trimethoxyphenyl)-1,3-oxazole Openeye Name: 2-(2-chlorophenyl)-5-pyrimidin-2-ylsulfanyl-4-(2,3,4-trimethoxyphenyl)oxazole CAS Name: 2-(2-chlorophenyl)-5-(2-pyrimidinylthio)-4-(2,3,4-trimethoxyphenyl)oxazole IUPAC Name: 2-(2-chlorophenyl)-5-pyrimidin-2-ylsulfanyl-4-(2,3,4-trimethoxyphenyl)-1,3-oxazole Traditional Name: 2-(2-chlorophenyl)-5-(2-pyrimidylthio)-4-(2,3,4-trimethoxyphenyl)oxazole Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2=C(OC(=N2)C3=CC=CC=C3Cl)SC4=NC=CC=N4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2=C(OC(=N2)C3=CC=CC=C3Cl)SC4=NC=CC=N4)OC)OC

InChI

InChI=1S/C22H18ClN3O4S/c1-27-16-10-9-14(18(28-2)19(16)29-3)17-21(31-22-24-11-6-12-25-22)30-20(26-17)13-7-4-5-8-15(13)23/h4-12H,1-3H3