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

Systemtic Name: 3-hexylsulfanyl-6-phenyl-2H-1,2,4-triazin-5-one Openeye Name: 3-hexylsulfanyl-6-phenyl-2H-1,2,4-triazin-5-one CAS Name: 3-(hexylthio)-6-phenyl-2H-1,2,4-triazin-5-one IUPAC Name: 3-hexylsulfanyl-6-phenyl-2H-1,2,4-triazin-5-one Traditional Name: 3-(hexylthio)-6-phenyl-2H-1,2,4-triazin-5-one Formula: C15H19N3OS MolecularWeight: 289.39586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=O)C(=NN1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCSC1=NC(=O)C(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C15H19N3OS/c1-2-3-4-8-11-20-15-16-14(19)13(17-18-15)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H,16,18,19)