2-[3-[(3,4-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfanyl-butan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[3-[(3,4-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfanyl-butan-2-yl]isoindole-1,3-dione Openeye Name: 2-[2-[(3,4-dichlorophenyl)methyl]-1-methyl-3-(2-naphthylsulfanyl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(3,4-dichlorophenyl)methyl]-4-(2-naphthalenylthio)butan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[3-[(3,4-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfanylbutan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-(3,4-dichlorobenzyl)-1-methyl-3-(2-naphthylthio)propyl]isoindoline-1,3-quinone Formula: C29H23Cl2NO2S MolecularWeight: 520.46942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC(=C(C=C1)Cl)Cl)CSC2=CC3=CC=CC=C3C=C2)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(C(CC1=CC(=C(C=C1)Cl)Cl)CSC2=CC3=CC=CC=C3C=C2)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H23Cl2NO2S/c1-18(32-28(33)24-8-4-5-9-25(24)29(32)34)22(14-19-10-13-26(30)27(31)15-19)17-35-23-12-11-20-6-2-3-7-21(20)16-23/h2-13,15-16,18,22H,14,17H2,1H3