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

Systemtic Name: 3-octylsulfanyl-6-phenyl-2H-1,2,4-triazin-5-one Openeye Name: 3-octylsulfanyl-6-phenyl-2H-1,2,4-triazin-5-one CAS Name: 3-(octylthio)-6-phenyl-2H-1,2,4-triazin-5-one IUPAC Name: 3-octylsulfanyl-6-phenyl-2H-1,2,4-triazin-5-one Traditional Name: 3-(octylthio)-6-phenyl-2H-1,2,4-triazin-5-one Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=O)C(=NN1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCSC1=NC(=O)C(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C17H23N3OS/c1-2-3-4-5-6-10-13-22-17-18-16(21)15(19-20-17)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3,(H,18,20,21)