8-methyl-7-oxidanylidene-5-phenyl-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile

Systemtic Name: 8-methyl-7-oxidanylidene-5-phenyl-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Openeye Name: 8-methyl-7-oxo-5-phenyl-3-thioxo-2H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile CAS Name: 8-methyl-7-oxo-5-phenyl-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile IUPAC Name: 8-methyl-7-oxo-5-phenyl-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Traditional Name: 7-keto-8-methyl-5-phenyl-3-thioxo-2H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Formula: C13H9N5OS MolecularWeight: 283.30846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N2C1=NNC2=S)C3=CC=CC=C3)C#N

Isomeric SMILES

CN1C(=O)C(=C(N2C1=NNC2=S)C3=CC=CC=C3)C#N

InChI

InChI=1S/C13H9N5OS/c1-17-11(19)9(7-14)10(8-5-3-2-4-6-8)18-12(17)15-16-13(18)20/h2-6H,1H3,(H,16,20)