2-[5-(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[5-(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-yl]isoindole-1,3-dione Openeye Name: 2-[5-[4-(morpholine-4-carbonyl)-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-yl]isoindoline-1,3-dione CAS Name: 2-[5-[[4-[4-morpholinyl(oxo)methyl]-2-nitrophenyl]thio]-1,3,4-thiadiazol-2-yl]isoindole-1,3-dione IUPAC Name: 2-[5-[4-(morpholine-4-carbonyl)-2-nitrophenyl]sulfanyl-1,3,4-thiadiazol-2-yl]isoindole-1,3-dione Traditional Name: 2-[5-[[4-(morpholine-4-carbonyl)-2-nitro-phenyl]thio]-1,3,4-thiadiazol-2-yl]isoindoline-1,3-quinone Formula: C21H15N5O6S2 MolecularWeight: 497.5037

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)N4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)N4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O6S2/c27-17(24-7-9-32-10-8-24)12-5-6-16(15(11-12)26(30)31)33-21-23-22-20(34-21)25-18(28)13-3-1-2-4-14(13)19(25)29/h1-6,11H,7-10H2