1-[2-[3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-oxidanyl-propoxy]phenyl]-3-methyl-butan-1-one

Systemtic Name: 1-[2-[3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-oxidanyl-propoxy]phenyl]-3-methyl-butan-1-one Openeye Name: 1-[2-[3-(4,5-diphenyloxazol-2-yl)sulfanyl-2-hydroxy-propoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[2-[3-[(4,5-diphenyl-2-oxazolyl)thio]-2-hydroxypropoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[2-[3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-hydroxypropoxy]phenyl]-3-methylbutan-1-one Traditional Name: 1-[2-[3-[(4,5-diphenyloxazol-2-yl)thio]-2-hydroxy-propoxy]phenyl]-3-methyl-butan-1-one Formula: C29H29NO4S MolecularWeight: 487.60986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CC=CC=C1OCC(CSC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)CC(=O)C1=CC=CC=C1OCC(CSC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C29H29NO4S/c1-20(2)17-25(32)24-15-9-10-16-26(24)33-18-23(31)19-35-29-30-27(21-11-5-3-6-12-21)28(34-29)22-13-7-4-8-14-22/h3-16,20,23,31H,17-19H2,1-2H3