6-phenyl-3-(phenylmethylsulfanyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 6-phenyl-3-(phenylmethylsulfanyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-benzylsulfanyl-6-phenyl-2H-1,2,4-triazin-5-one CAS Name: 6-phenyl-3-(phenylmethylthio)-2H-1,2,4-triazin-5-one IUPAC Name: 3-benzylsulfanyl-6-phenyl-2H-1,2,4-triazin-5-one Traditional Name: 3-(benzylthio)-6-phenyl-2H-1,2,4-triazin-5-one Formula: C16H13N3OS MolecularWeight: 295.35892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3OS/c20-15-14(13-9-5-2-6-10-13)18-19-16(17-15)21-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,17,19,20)