3-[3-[(4-methylsulfanylphenyl)amino]-1-phenyl-butyl]-2-oxidanyl-chromen-4-one

Systemtic Name: 3-[3-[(4-methylsulfanylphenyl)amino]-1-phenyl-butyl]-2-oxidanyl-chromen-4-one Openeye Name: 2-hydroxy-3-[3-(4-methylsulfanylanilino)-1-phenyl-butyl]chromen-4-one CAS Name: 2-hydroxy-3-[3-[4-(methylthio)anilino]-1-phenylbutyl]-1-benzopyran-4-one IUPAC Name: 2-hydroxy-3-[3-(4-methylsulfanylanilino)-1-phenylbutyl]chromen-4-one Traditional Name: 2-hydroxy-3-[3-[4-(methylthio)anilino]-1-phenyl-butyl]chromone Formula: C26H25NO3S MolecularWeight: 431.5466

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O)NC4=CC=C(C=C4)SC

Isomeric SMILES

CC(CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O)NC4=CC=C(C=C4)SC

InChI

InChI=1S/C26H25NO3S/c1-17(27-19-12-14-20(31-2)15-13-19)16-22(18-8-4-3-5-9-18)24-25(28)21-10-6-7-11-23(21)30-26(24)29/h3-15,17,22,27,29H,16H2,1-2H3