5-oxidanylidene-1-phenyl-3-(phenylcarbonyl)-7-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile

Systemtic Name: 5-oxidanylidene-1-phenyl-3-(phenylcarbonyl)-7-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Openeye Name: 3-benzoyl-5-oxo-1-phenyl-7-(2-thienyl)-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile CAS Name: 3-benzoyl-5-oxo-1-phenyl-7-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile IUPAC Name: 3-benzoyl-5-oxo-1-phenyl-7-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Traditional Name: 3-benzoyl-5-keto-1-phenyl-7-(2-thienyl)-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Formula: C23H13N5O2S MolecularWeight: 423.44662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=NN(C3=NC(=C(C(=O)N23)C#N)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=NN(C3=NC(=C(C(=O)N23)C#N)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C23H13N5O2S/c24-14-17-19(18-12-7-13-31-18)25-23-27(22(17)30)21(20(29)15-8-3-1-4-9-15)26-28(23)16-10-5-2-6-11-16/h1-13H