phenyl 5-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethyl-3-pentoxy-hexaneperoxoate

Systemtic Name: phenyl 5-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethyl-3-pentoxy-hexaneperoxoate Openeye Name: phenyl 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethyl-3-pentoxy-hexaneperoxoate CAS Name: 5-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-2,2-dimethyl-3-pentoxyhexaneperoxoic acid phenyl ester IUPAC Name: phenyl 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethyl-3-pentoxyhexaneperoxoate Traditional Name: 5-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-amoxy-2,2-dimethyl-hexaneperoxoic acid phenyl ester Formula: C21H31N3O4S2 MolecularWeight: 453.61854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(CC(C)SC1=NN=C(S1)N)C(C)(C)C(=O)OOC2=CC=CC=C2

Isomeric SMILES

CCCCCOC(CC(C)SC1=NN=C(S1)N)C(C)(C)C(=O)OOC2=CC=CC=C2

InChI

InChI=1S/C21H31N3O4S2/c1-5-6-10-13-26-17(14-15(2)29-20-24-23-19(22)30-20)21(3,4)18(25)28-27-16-11-8-7-9-12-16/h7-9,11-12,15,17H,5-6,10,13-14H2,1-4H3,(H2,22,23)