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

Systemtic Name: 4-oxidanylidene-7-phenyl-2-sulfanylidene-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carbonitrile Openeye Name: 4-oxo-7-phenyl-2-thioxo-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carbonitrile CAS Name: 4-oxo-7-phenyl-2-sulfanylidene-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carbonitrile IUPAC Name: 4-oxo-7-phenyl-2-sulfanylidene-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carbonitrile Traditional Name: 4-keto-7-phenyl-2-thioxo-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carbonitrile Formula: C13H8N4OS MolecularWeight: 268.29382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN3C(=C2C#N)NC(=S)NC3=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN3C(=C2C#N)NC(=S)NC3=O

InChI

InChI=1S/C13H8N4OS/c14-6-9-10(8-4-2-1-3-5-8)7-17-11(9)15-12(19)16-13(17)18/h1-5,7H,(H2,15,16,18,19)