4-methyl-3-(4-methylsulfonylphenyl)-2-phenyl-4-thiophen-3-yl-cyclobut-2-en-1-one

Systemtic Name: 4-methyl-3-(4-methylsulfonylphenyl)-2-phenyl-4-thiophen-3-yl-cyclobut-2-en-1-one Openeye Name: 4-methyl-3-(4-methylsulfonylphenyl)-2-phenyl-4-(3-thienyl)cyclobut-2-en-1-one CAS Name: 4-methyl-3-(4-methylsulfonylphenyl)-2-phenyl-4-(3-thiophenyl)-1-cyclobut-2-enone IUPAC Name: 4-methyl-3-(4-methylsulfonylphenyl)-2-phenyl-4-thiophen-3-ylcyclobut-2-en-1-one Traditional Name: 3-(4-mesylphenyl)-4-methyl-2-phenyl-4-(3-thienyl)cyclobut-2-en-1-one Formula: C22H18O3S2 MolecularWeight: 394.50652

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CSC=C4

Isomeric SMILES

CC1(C(=C(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CSC=C4

InChI

InChI=1S/C22H18O3S2/c1-22(17-12-13-26-14-17)20(16-8-10-18(11-9-16)27(2,24)25)19(21(22)23)15-6-4-3-5-7-15/h3-14H,1-2H3