5-(furan-2-yl)-8-methyl-7-oxidanylidene-3-phenacylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile

Systemtic Name: 5-(furan-2-yl)-8-methyl-7-oxidanylidene-3-phenacylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Openeye Name: 5-(2-furyl)-8-methyl-7-oxo-3-phenacylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile CAS Name: 5-(2-furanyl)-8-methyl-7-oxo-3-(phenacylthio)-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile IUPAC Name: 5-(furan-2-yl)-8-methyl-7-oxo-3-phenacylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Traditional Name: 5-(2-furyl)-7-keto-8-methyl-3-(phenacylthio)-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Formula: C19H13N5O3S MolecularWeight: 391.40322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N2C1=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=CO4)C#N

Isomeric SMILES

CN1C(=O)C(=C(N2C1=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=CO4)C#N

InChI

InChI=1S/C19H13N5O3S/c1-23-17(26)13(10-20)16(15-8-5-9-27-15)24-18(23)21-22-19(24)28-11-14(25)12-6-3-2-4-7-12/h2-9H,11H2,1H3