(E)-1-(4-methyl-3-nitro-phenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-methyl-3-nitro-phenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-methyl-3-nitro-phenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-1-(4-methyl-3-nitrophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-methyl-3-nitrophenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-methyl-3-nitro-phenyl)-3-[4-(methylthio)phenyl]prop-2-en-1-one Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO3S/c1-12-3-7-14(11-16(12)18(20)21)17(19)10-6-13-4-8-15(22-2)9-5-13/h3-11H,1-2H3/b10-6+