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

Systemtic Name: (E)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-1-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-(3-nitrophenyl)-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-1-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-1-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(3-nitrophenyl)-3-[3-nitro-4-(p-tolylthio)phenyl]prop-2-en-1-one Formula: C22H16N2O5S MolecularWeight: 420.43784

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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(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2O5S/c1-15-5-9-19(10-6-15)30-22-12-8-16(13-20(22)24(28)29)7-11-21(25)17-3-2-4-18(14-17)23(26)27/h2-14H,1H3/b11-7+