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

Systemtic Name: 2-(2-methylpropylsulfanyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2-isobutylsulfanyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-(2-methylpropylthio)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazole IUPAC Name: 2-(2-methylpropylsulfanyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-(isobutylthio)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazole Formula: C15H17N3O4S3 MolecularWeight: 399.50818

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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/C15H17N3O4S3/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/h3-4,9H,5-8H2,1-2H3