6-phenyl-3-[[4-(phenylcarbonyl)phenyl]methylsulfanyl]-2H-1,2,4-triazin-5-one

Systemtic Name: 6-phenyl-3-[[4-(phenylcarbonyl)phenyl]methylsulfanyl]-2H-1,2,4-triazin-5-one Openeye Name: 3-[(4-benzoylphenyl)methylsulfanyl]-6-phenyl-2H-1,2,4-triazin-5-one CAS Name: 3-[(4-benzoylphenyl)methylthio]-6-phenyl-2H-1,2,4-triazin-5-one IUPAC Name: 3-[(4-benzoylphenyl)methylsulfanyl]-6-phenyl-2H-1,2,4-triazin-5-one Traditional Name: 3-[(4-benzoylbenzyl)thio]-6-phenyl-2H-1,2,4-triazin-5-one Formula: C23H17N3O2S MolecularWeight: 399.46498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=NC2=O)SCC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=NC2=O)SCC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H17N3O2S/c27-21(18-9-5-2-6-10-18)19-13-11-16(12-14-19)15-29-23-24-22(28)20(25-26-23)17-7-3-1-4-8-17/h1-14H,15H2,(H,24,26,28)