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

Systemtic Name: 8-methyl-7-oxidanylidene-3-phenacylsulfanyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Openeye Name: 8-methyl-7-oxo-3-phenacylsulfanyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile CAS Name: 8-methyl-7-oxo-3-(phenacylthio)-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile IUPAC Name: 8-methyl-7-oxo-3-phenacylsulfanyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Traditional Name: 7-keto-8-methyl-3-(phenacylthio)-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Formula: C21H15N5O2S MolecularWeight: 401.4411

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N2C1=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CN1C(=O)C(=C(N2C1=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C21H15N5O2S/c1-25-19(28)16(12-22)18(15-10-6-3-7-11-15)26-20(25)23-24-21(26)29-13-17(27)14-8-4-2-5-9-14/h2-11H,13H2,1H3