2-[5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pentyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pentyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[5-(5-allylsulfanyl-1,3,4-oxadiazol-2-yl)pentyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[5-[5-(prop-2-enylthio)-1,3,4-oxadiazol-2-yl]pentyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pentyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[5-[5-(allylthio)-1,3,4-oxadiazol-2-yl]pentyl]benzo[de]isoquinoline-1,3-quinone Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(O1)CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

C=CCSC1=NN=C(O1)CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C22H21N3O3S/c1-2-14-29-22-24-23-18(28-22)12-4-3-5-13-25-20(26)16-10-6-8-15-9-7-11-17(19(15)16)21(25)27/h2,6-11H,1,3-5,12-14H2