2-methyl-3-(1-methylsulfanyl-1-phenyl-but-3-enyl)inden-1-one

Systemtic Name: 2-methyl-3-(1-methylsulfanyl-1-phenyl-but-3-enyl)inden-1-one Openeye Name: 2-methyl-3-(1-methylsulfanyl-1-phenyl-but-3-enyl)inden-1-one CAS Name: 2-methyl-3-[1-(methylthio)-1-phenylbut-3-enyl]-1-indenone IUPAC Name: 2-methyl-3-(1-methylsulfanyl-1-phenylbut-3-enyl)inden-1-one Traditional Name: 2-methyl-3-[1-(methylthio)-1-phenyl-but-3-enyl]inden-1-one Formula: C21H20OS MolecularWeight: 320.4479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C1=O)C(CC=C)(C3=CC=CC=C3)SC

Isomeric SMILES

CC1=C(C2=CC=CC=C2C1=O)C(CC=C)(C3=CC=CC=C3)SC

InChI

InChI=1S/C21H20OS/c1-4-14-21(23-3,16-10-6-5-7-11-16)19-15(2)20(22)18-13-9-8-12-17(18)19/h4-13H,1,14H2,2-3H3