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

Systemtic Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-N-phenyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazol-2-yl]-phenyl-amine Formula: C17H14N4O4S2 MolecularWeight: 402.44746

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(S3)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(S3)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S2/c22-21(23)14-6-11-8-24-10-25-15(11)12(7-14)9-26-17-20-19-16(27-17)18-13-4-2-1-3-5-13/h1-7H,8-10H2,(H,18,19)