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

Systemtic Name: (E)-1-(4-tert-butylphenyl)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one Openeye Name: (E)-1-(4-tert-butylphenyl)-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-tert-butylphenyl)-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-tert-butylphenyl)-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-tert-butylphenyl)-3-[3-nitro-4-(p-tolylthio)phenyl]prop-2-en-1-one Formula: C26H25NO3S MolecularWeight: 431.5466

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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)C(C)(C)C)[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)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H25NO3S/c1-18-5-13-22(14-6-18)31-25-16-8-19(17-23(25)27(29)30)7-15-24(28)20-9-11-21(12-10-20)26(2,3)4/h5-17H,1-4H3/b15-7+