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

Systemtic Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine Openeye Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(3-pyridyl)-1,2,4-triazol-4-amine CAS Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(3-pyridinyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine Traditional Name: [3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(3-pyridyl)-1,2,4-triazol-4-yl]amine Formula: C16H14N6O4S MolecularWeight: 386.38516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O4S/c17-21-15(10-2-1-3-18-6-10)19-20-16(21)27-8-12-5-13(22(23)24)4-11-7-25-9-26-14(11)12/h1-6H,7-9,17H2