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

Systemtic Name: (E)-1-(4-cyclohexylphenyl)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one Openeye Name: (E)-1-(4-cyclohexylphenyl)-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-cyclohexylphenyl)-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-cyclohexylphenyl)-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-cyclohexylphenyl)-3-[3-nitro-4-(p-tolylthio)phenyl]prop-2-en-1-one Formula: C28H27NO3S MolecularWeight: 457.58388

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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)C4CCCCC4)[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)C4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C28H27NO3S/c1-20-7-15-25(16-8-20)33-28-18-10-21(19-26(28)29(31)32)9-17-27(30)24-13-11-23(12-14-24)22-5-3-2-4-6-22/h7-19,22H,2-6H2,1H3/b17-9+