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

Systemtic Name: 8-methyl-3-methylsulfonyl-7-oxidanylidene-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Openeye Name: 8-methyl-3-methylsulfonyl-7-oxo-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile CAS Name: 8-methyl-3-methylsulfonyl-7-oxo-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile IUPAC Name: 8-methyl-3-methylsulfonyl-7-oxo-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Traditional Name: 7-keto-3-mesyl-8-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Formula: C14H11N5O3S MolecularWeight: 329.33384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N2C1=NN=C2S(=O)(=O)C)C3=CC=CC=C3)C#N

Isomeric SMILES

CN1C(=O)C(=C(N2C1=NN=C2S(=O)(=O)C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C14H11N5O3S/c1-18-12(20)10(8-15)11(9-6-4-3-5-7-9)19-13(18)16-17-14(19)23(2,21)22/h3-7H,1-2H3