3-phenethylsulfanyl-6-phenyl-2H-1,2,4-triazin-5-one

Systemtic Name: 3-phenethylsulfanyl-6-phenyl-2H-1,2,4-triazin-5-one Openeye Name: 3-phenethylsulfanyl-6-phenyl-2H-1,2,4-triazin-5-one CAS Name: 3-(phenethylthio)-6-phenyl-2H-1,2,4-triazin-5-one IUPAC Name: 3-phenethylsulfanyl-6-phenyl-2H-1,2,4-triazin-5-one Traditional Name: 3-(phenethylthio)-6-phenyl-2H-1,2,4-triazin-5-one Formula: C17H15N3OS MolecularWeight: 309.3855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC(=O)C(=NN2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC(=O)C(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3OS/c21-16-15(14-9-5-2-6-10-14)19-20-17(18-16)22-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,20,21)