3-octylsulfanyl-6-(phenylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-octylsulfanyl-6-(phenylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-octylsulfanyl-2H-1,2,4-triazin-5-one CAS Name: 3-(octylthio)-6-(phenylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-octylsulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 6-benzyl-3-(octylthio)-2H-1,2,4-triazin-5-one Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=O)C(=NN1)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCSC1=NC(=O)C(=NN1)CC2=CC=CC=C2

InChI

InChI=1S/C18H25N3OS/c1-2-3-4-5-6-10-13-23-18-19-17(22)16(20-21-18)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,19,21,22)