5-oxidanylidene-1,7-diphenyl-3-thiophen-2-ylcarbonyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile

Systemtic Name: 5-oxidanylidene-1,7-diphenyl-3-thiophen-2-ylcarbonyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Openeye Name: 5-oxo-1,7-diphenyl-3-(thiophene-2-carbonyl)-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile CAS Name: 5-oxo-3-[oxo(thiophen-2-yl)methyl]-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile IUPAC Name: 5-oxo-1,7-diphenyl-3-(thiophene-2-carbonyl)-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Traditional Name: 5-keto-1,7-diphenyl-3-(2-thenoyl)-[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)C2=C(C(=O)N3C(=NN(C3=N2)C4=CC=CC=C4)C(=O)C5=CC=CS5)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N3C(=NN(C3=N2)C4=CC=CC=C4)C(=O)C5=CC=CS5)C#N

InChI

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