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

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2-[(4-isopropylphenyl)methylsulfanyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-[(4-propan-2-ylphenyl)methylthio]-1,3,4-thiadiazole IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-[(4-isopropylbenzyl)thio]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazole Formula: C21H21N3O4S3 MolecularWeight: 475.60414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C21H21N3O4S3/c1-13(2)15-5-3-14(4-6-15)10-29-20-22-23-21(31-20)30-11-17-8-18(24(25)26)7-16-9-27-12-28-19(16)17/h3-8,13H,9-12H2,1-2H3