2-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]isoindole-1,3-dione Openeye Name: 2-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]isoindoline-1,3-dione CAS Name: 2-[5-(1H-benzimidazol-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]isoindole-1,3-dione IUPAC Name: 2-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]isoindole-1,3-dione Traditional Name: 2-[5-(1H-benzimidazol-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]isoindoline-1,3-quinone Formula: C18H11N5O2S2 MolecularWeight: 393.44224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NN=C(S3)SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NN=C(S3)SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C18H11N5O2S2/c24-15-10-5-1-2-6-11(10)16(25)23(15)17-21-22-18(27-17)26-9-14-19-12-7-3-4-8-13(12)20-14/h1-8H,9H2,(H,19,20)