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

Systemtic Name: 3-(4-chlorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazole-2-thione Openeye Name: 3-(4-chlorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazole-2-thione CAS Name: 3-(4-chlorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazole-2-thione IUPAC Name: 3-(4-chlorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazole-2-thione Traditional Name: 3-(4-chlorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazole-2-thione Formula: C17H12ClN3O4S3 MolecularWeight: 453.94288

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN(C(=S)S3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN(C(=S)S3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O4S3/c18-12-1-3-13(4-2-12)20-17(26)28-16(19-20)27-8-11-6-14(21(22)23)5-10-7-24-9-25-15(10)11/h1-6H,7-9H2