2-(2-methylprop-2-enylsulfanyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazole

Systemtic Name: 2-(2-methylprop-2-enylsulfanyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2-(2-methylallylsulfanyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-(2-methylprop-2-enylthio)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazole IUPAC Name: 2-(2-methylprop-2-enylsulfanyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-(2-methylallylthio)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazole Formula: C15H15N3O4S3 MolecularWeight: 397.4923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NN=C(S1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(=C)CSC1=NN=C(S1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C15H15N3O4S3/c1-9(2)6-23-14-16-17-15(25-14)24-7-11-4-12(18(19)20)3-10-5-21-8-22-13(10)11/h3-4H,1,5-8H2,2H3