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

Systemtic Name: 5,6-bis(4-methylphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazine Openeye Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5,6-bis(p-tolyl)-1,2,4-triazine CAS Name: 5,6-bis(4-methylphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazine IUPAC Name: 5,6-bis(4-methylphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazine Traditional Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5,6-bis(p-tolyl)-1,2,4-triazine Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=C(C=C5)C

InChI

InChI=1S/C26H22N4O4S/c1-16-3-7-18(8-4-16)23-24(19-9-5-17(2)6-10-19)28-29-26(27-23)35-14-21-12-22(30(31)32)11-20-13-33-15-34-25(20)21/h3-12H,13-15H2,1-2H3