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

Systemtic Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-(4-isopropylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazol-2-yl]-p-cumenyl-amine Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C20H20N4O4S2/c1-12(2)13-3-5-16(6-4-13)21-19-22-23-20(30-19)29-10-15-8-17(24(25)26)7-14-9-27-11-28-18(14)15/h3-8,12H,9-11H2,1-2H3,(H,21,22)