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

Systemtic Name: 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-dibenzothiophen-3-yl-1,3,4-thiadiazole Openeye Name: 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-dibenzothiophen-3-yl-1,3,4-thiadiazole CAS Name: 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-dibenzothiophenyl)-1,3,4-thiadiazole IUPAC Name: 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-dibenzothiophen-3-yl-1,3,4-thiadiazole Traditional Name: 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-dibenzothiophen-3-yl-1,3,4-thiadiazole Formula: C21H20N4S2 MolecularWeight: 392.5403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1N(CC2)C3=NN=C(S3)C4=CC5=C(C=C4)C6=CC=CC=C6S5

Isomeric SMILES

C1CN2CCC1N(CC2)C3=NN=C(S3)C4=CC5=C(C=C4)C6=CC=CC=C6S5

InChI

InChI=1S/C21H20N4S2/c1-2-4-18-16(3-1)17-6-5-14(13-19(17)26-18)20-22-23-21(27-20)25-12-11-24-9-7-15(25)8-10-24/h1-6,13,15H,7-12H2