3-methyl-1-[4-[4-(3-methylbutanoyl)phenyl]sulfanylphenyl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[4-(3-methylbutanoyl)phenyl]sulfanylphenyl]butan-1-one Openeye Name: 3-methyl-1-[4-[4-(3-methylbutanoyl)phenyl]sulfanylphenyl]butan-1-one CAS Name: 3-methyl-1-[4-[[4-(3-methyl-1-oxobutyl)phenyl]thio]phenyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[4-(3-methylbutanoyl)phenyl]sulfanylphenyl]butan-1-one Traditional Name: 1-[4-[(4-isovalerylphenyl)thio]phenyl]-3-methyl-butan-1-one Formula: C22H26O2S MolecularWeight: 354.50564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)CC(C)C

Isomeric SMILES

CC(C)CC(=O)C1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)CC(C)C

InChI

InChI=1S/C22H26O2S/c1-15(2)13-21(23)17-5-9-19(10-6-17)25-20-11-7-18(8-12-20)22(24)14-16(3)4/h5-12,15-16H,13-14H2,1-4H3