(E)-3-[4-(dimethylamino)-3-octylsulfanyl-phenyl]-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-[4-(dimethylamino)-3-octylsulfanyl-phenyl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-[4-(dimethylamino)-3-octylsulfanyl-phenyl]-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(dimethylamino)-3-(octylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[4-(dimethylamino)-3-octylsulfanylphenyl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(dimethylamino)-3-(octylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C25H33NOS MolecularWeight: 395.60062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=C(C=CC(=C1)C=CC(=O)C2=CC=CC=C2)N(C)C

Isomeric SMILES

CCCCCCCCSC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=CC=C2)N(C)C

InChI

InChI=1S/C25H33NOS/c1-4-5-6-7-8-12-19-28-25-20-21(15-17-23(25)26(2)3)16-18-24(27)22-13-10-9-11-14-22/h9-11,13-18,20H,4-8,12,19H2,1-3H3/b18-16+