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

Systemtic Name: 2-[5-(2-nitro-4-pyrrolidin-1-ylcarbonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-yl]isoindole-1,3-dione Openeye Name: 2-[5-[2-nitro-4-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-1,3,4-thiadiazol-2-yl]isoindoline-1,3-dione CAS Name: 2-[5-[[2-nitro-4-[oxo(1-pyrrolidinyl)methyl]phenyl]thio]-1,3,4-thiadiazol-2-yl]isoindole-1,3-dione IUPAC Name: 2-[5-[2-nitro-4-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-1,3,4-thiadiazol-2-yl]isoindole-1,3-dione Traditional Name: 2-[5-[[2-nitro-4-(pyrrolidine-1-carbonyl)phenyl]thio]-1,3,4-thiadiazol-2-yl]isoindoline-1,3-quinone Formula: C21H15N5O5S2 MolecularWeight: 481.5043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)N4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)N4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O5S2/c27-17(24-9-3-4-10-24)12-7-8-16(15(11-12)26(30)31)32-21-23-22-20(33-21)25-18(28)13-5-1-2-6-14(13)19(25)29/h1-2,5-8,11H,3-4,9-10H2