3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine

Systemtic Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine Openeye Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine CAS Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5,6-diphenyl-1,2,4-triazine IUPAC Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine Traditional Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5,6-diphenyl-1,2,4-triazine Formula: C24H18N4O4S MolecularWeight: 458.48912

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H18N4O4S/c29-28(30)20-11-18-13-31-15-32-23(18)19(12-20)14-33-24-25-21(16-7-3-1-4-8-16)22(26-27-24)17-9-5-2-6-10-17/h1-12H,13-15H2