(E)-3-(4-azanyl-3-octylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-azanyl-3-octylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-amino-3-octylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-amino-3-(octylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-amino-3-octylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-amino-3-(octylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C23H29NOS MolecularWeight: 367.54746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NOS/c1-2-3-4-5-6-10-17-26-23-18-19(13-15-21(23)24)14-16-22(25)20-11-8-7-9-12-20/h7-9,11-16,18H,2-6,10,17,24H2,1H3/b16-14+