2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-phenoxathiin-4-yl-1,3,4-thiadiazole

Systemtic Name: 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-phenoxathiin-4-yl-1,3,4-thiadiazole Openeye Name: 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-phenoxathiin-4-yl-1,3,4-thiadiazole CAS Name: 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(4-phenoxathiinyl)-1,3,4-thiadiazole IUPAC Name: 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-phenoxathiin-4-yl-1,3,4-thiadiazole Traditional Name: 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-phenoxathiin-4-yl-1,3,4-thiadiazole Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1N(CC2)C3=NN=C(S3)C4=C5C(=CC=C4)SC6=CC=CC=C6O5

Isomeric SMILES

C1CN2CCC1N(CC2)C3=NN=C(S3)C4=C5C(=CC=C4)SC6=CC=CC=C6O5

InChI

InChI=1S/C21H20N4OS2/c1-2-6-17-16(5-1)26-19-15(4-3-7-18(19)27-17)20-22-23-21(28-20)25-13-12-24-10-8-14(25)9-11-24/h1-7,14H,8-13H2