2-[4-(2-methylimidazol-1-yl)phenyl]sulfanyl-2-phenyl-oxane-4-carbaldehyde

Systemtic Name: 2-[4-(2-methylimidazol-1-yl)phenyl]sulfanyl-2-phenyl-oxane-4-carbaldehyde Openeye Name: 2-[4-(2-methylimidazol-1-yl)phenyl]sulfanyl-2-phenyl-tetrahydropyran-4-carbaldehyde CAS Name: 2-[[4-(2-methyl-1-imidazolyl)phenyl]thio]-2-phenyl-4-oxanecarboxaldehyde IUPAC Name: 2-[4-(2-methylimidazol-1-yl)phenyl]sulfanyl-2-phenyloxane-4-carbaldehyde Traditional Name: 2-[[4-(2-methylimidazol-1-yl)phenyl]thio]-2-phenyl-tetrahydropyran-4-carbaldehyde Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)SC3(CC(CCO3)C=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)SC3(CC(CCO3)C=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O2S/c1-17-23-12-13-24(17)20-7-9-21(10-8-20)27-22(19-5-3-2-4-6-19)15-18(16-25)11-14-26-22/h2-10,12-13,16,18H,11,14-15H2,1H3