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

Systemtic Name: 8-methyl-7-oxidanylidene-5-phenyl-3-(phenylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Openeye Name: 3-benzylsulfanyl-8-methyl-7-oxo-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile CAS Name: 8-methyl-7-oxo-5-phenyl-3-(phenylmethylthio)-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile IUPAC Name: 3-benzylsulfanyl-8-methyl-7-oxo-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Traditional Name: 3-(benzylthio)-7-keto-8-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Formula: C20H15N5OS MolecularWeight: 373.431

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N2C1=NN=C2SCC3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CN1C(=O)C(=C(N2C1=NN=C2SCC3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C20H15N5OS/c1-24-18(26)16(12-21)17(15-10-6-3-7-11-15)25-19(24)22-23-20(25)27-13-14-8-4-2-5-9-14/h2-11H,13H2,1H3