(E)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-morpholinophenyl)-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-1-[4-(4-morpholinyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-morpholinophenyl)-3-[3-nitro-4-(p-tolylthio)phenyl]prop-2-en-1-one Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=CC(=O)C3=CC=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H24N2O4S/c1-19-2-10-23(11-3-19)33-26-13-5-20(18-24(26)28(30)31)4-12-25(29)21-6-8-22(9-7-21)27-14-16-32-17-15-27/h2-13,18H,14-17H2,1H3/b12-4+