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

Systemtic Name: N-(2,3-dimethylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-(2,3-dimethylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(2,3-dimethylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2,3-dimethylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: (2,3-dimethylphenyl)-[5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C19H18N4O4S2 MolecularWeight: 430.50062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C

InChI

InChI=1S/C19H18N4O4S2/c1-11-4-3-5-16(12(11)2)20-18-21-22-19(29-18)28-9-14-7-15(23(24)25)6-13-8-26-10-27-17(13)14/h3-7H,8-10H2,1-2H3,(H,20,21)