2-hexadecylsulfanyl-7,8-diisocyano-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one

Systemtic Name: 2-hexadecylsulfanyl-7,8-diisocyano-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one Openeye Name: 2-hexadecylsulfanyl-7,8-diisocyano-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one CAS Name: 2-(hexadecylthio)-7,8-diisocyano-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one IUPAC Name: 2-hexadecylsulfanyl-7,8-diisocyano-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one Traditional Name: 2-(cetylthio)-7,8-diisocyano-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one Formula: C24H35N5OS MolecularWeight: 441.6326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=NC(=O)N2C=C(C(=C2N1)[N+]#[C-])[N+]#[C-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=NC(=O)N2C=C(C(=C2N1)[N+]#[C-])[N+]#[C-]

InChI

InChI=1S/C24H35N5OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-23-27-22-21(26-3)20(25-2)19-29(22)24(30)28-23/h19H,4-18H2,1H3,(H,27,28,30)