3-[[bis(phenylmethyl)amino]methyl]-6-bromanyl-7-methyl-3-(4-methylphenyl)sulfanyl-2H-chromen-4-one

Systemtic Name: 3-[[bis(phenylmethyl)amino]methyl]-6-bromanyl-7-methyl-3-(4-methylphenyl)sulfanyl-2H-chromen-4-one Openeye Name: 6-bromo-3-[(dibenzylamino)methyl]-7-methyl-3-(p-tolylsulfanyl)chroman-4-one CAS Name: 3-[[bis(phenylmethyl)amino]methyl]-6-bromo-7-methyl-3-[(4-methylphenyl)thio]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6-bromo-3-[(dibenzylamino)methyl]-7-methyl-3-(4-methylphenyl)sulfanyl-2H-chromen-4-one Traditional Name: 6-bromo-3-[(dibenzylamino)methyl]-7-methyl-3-(p-tolylthio)chroman-4-one Formula: C32H30BrNO2S MolecularWeight: 572.5551

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(COC3=CC(=C(C=C3C2=O)Br)C)CN(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SC2(COC3=CC(=C(C=C3C2=O)Br)C)CN(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C32H30BrNO2S/c1-23-13-15-27(16-14-23)37-32(22-36-30-17-24(2)29(33)18-28(30)31(32)35)21-34(19-25-9-5-3-6-10-25)20-26-11-7-4-8-12-26/h3-18H,19-22H2,1-2H3