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

Systemtic Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-pyridin-4-yl-1,3,5-triazin-2-amine Openeye Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-(4-pyridyl)-1,3,5-triazin-2-amine CAS Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-6-pyridin-4-yl-1,3,5-triazin-2-amine IUPAC Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-pyridin-4-yl-1,3,5-triazin-2-amine Traditional Name: [4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-6-(4-pyridyl)-s-triazin-2-yl]amine Formula: C17H14N6O4S MolecularWeight: 398.39586

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC(=NC(=N3)N)C4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC(=NC(=N3)N)C4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O4S/c18-16-20-15(10-1-3-19-4-2-10)21-17(22-16)28-8-12-6-13(23(24)25)5-11-7-26-9-27-14(11)12/h1-6H,7-9H2,(H2,18,20,21,22)