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

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-[(4-methoxyphenyl)methylthio]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazole IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(p-anisylthio)-1,3,4-thiadiazole Formula: C19H17N3O5S3 MolecularWeight: 463.55038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C19H17N3O5S3/c1-25-16-4-2-12(3-5-16)9-28-18-20-21-19(30-18)29-10-14-7-15(22(23)24)6-13-8-26-11-27-17(13)14/h2-7H,8-11H2,1H3