2-dodecylsulfanyl-4-oxidanylidene-7-phenyl-6H-pyrrolo[1,2-a][1,3,5]triazine-8-carbonitrile

Systemtic Name: 2-dodecylsulfanyl-4-oxidanylidene-7-phenyl-6H-pyrrolo[1,2-a][1,3,5]triazine-8-carbonitrile Openeye Name: 2-dodecylsulfanyl-4-oxo-7-phenyl-6H-pyrrolo[1,2-a][1,3,5]triazine-8-carbonitrile CAS Name: 2-(dodecylthio)-4-oxo-7-phenyl-6H-pyrrolo[1,2-a][1,3,5]triazine-8-carbonitrile IUPAC Name: 2-dodecylsulfanyl-4-oxo-7-phenyl-6H-pyrrolo[1,2-a][1,3,5]triazine-8-carbonitrile Traditional Name: 4-keto-2-(laurylthio)-7-phenyl-6H-pyrrolo[1,2-a][1,3,5]triazine-8-carbonitrile Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC(=O)N2CC(=C(C2=N1)C#N)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCSC1=NC(=O)N2CC(=C(C2=N1)C#N)C3=CC=CC=C3

InChI

InChI=1S/C25H32N4OS/c1-2-3-4-5-6-7-8-9-10-14-17-31-24-27-23-21(18-26)22(19-29(23)25(30)28-24)20-15-12-11-13-16-20/h11-13,15-16H,2-10,14,17,19H2,1H3