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II2

Summary
Name:5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE
Formula:C20 H15 N3 O2 S
Formal charge:0
Formula weight:361.417 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-amino-2-{4-[(4-aminophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
OpenEye OEToolkits1.6.15-amino-2-[4-(4-aminophenyl)sulfanylphenyl]isoindole-1,3-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2c1ccc(cc1C(=O)N2c4ccc(Sc3ccc(N)cc3)cc4)N
SMILES_CANONICALCACTVS3.352Nc1ccc(Sc2ccc(cc2)N3C(=O)c4ccc(N)cc4C3=O)cc1
SMILESCACTVS3.352Nc1ccc(Sc2ccc(cc2)N3C(=O)c4ccc(N)cc4C3=O)cc1
SMILES_CANONICALOpenEye OEToolkits1.6.1c1cc(ccc1N)Sc2ccc(cc2)N3C(=O)c4ccc(cc4C3=O)N
SMILESOpenEye OEToolkits1.6.1c1cc(ccc1N)Sc2ccc(cc2)N3C(=O)c4ccc(cc4C3=O)N
InChIInChI1.03InChI=1S/C20H15N3O2S/c21-12-1-6-15(7-2-12)26-16-8-4-14(5-9-16)23-19(24)17-10-3-13(22)11-18(17)20(23)25/h1-11H,21-22H2
InChIKeyInChI1.03FQQVTDIBUYSVHM-UHFFFAOYSA-N

224931

건을2024-09-11부터공개중

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