5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazol-2-yl]-(4-phenoxyphenyl)amine Formula: C23H18N4O5S2 MolecularWeight: 494.54282

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(S3)NC4=CC=C(C=C4)OC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(S3)NC4=CC=C(C=C4)OC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O5S2/c28-27(29)18-10-15-12-30-14-31-21(15)16(11-18)13-33-23-26-25-22(34-23)24-17-6-8-20(9-7-17)32-19-4-2-1-3-5-19/h1-11H,12-14H2,(H,24,25)