2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]thio]-1-phenyl-ethanone Formula: C25H21N3OS MolecularWeight: 411.51874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H21N3OS/c1-17-8-12-20(13-9-17)23-24(21-14-10-18(2)11-15-21)27-28-25(26-23)30-16-22(29)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3