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

Systemtic Name: 3-(2-chlorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2-chlorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2-chlorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(2-chlorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2-chlorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-4-yl]amine Formula: C17H14ClN5O4S MolecularWeight: 419.84216

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3N)C4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3N)C4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN5O4S/c18-14-4-2-1-3-13(14)16-20-21-17(22(16)19)28-8-11-6-12(23(24)25)5-10-7-26-9-27-15(10)11/h1-6H,7-9,19H2