7-oxidanylidene-5-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 7-oxidanylidene-5-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 7-oxo-5-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 7-oxo-5-[[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 7-oxo-5-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 7-keto-5-[[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C21H20N8OS MolecularWeight: 432.5015

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)N5C(=N4)C(=CN5)C#N

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)N5C(=N4)C(=CN5)C#N

InChI

InChI=1S/C21H20N8OS/c22-12-15-13-23-29-18(30)11-16(24-19(15)29)14-31-21-26-25-20(27-9-5-2-6-10-27)28(21)17-7-3-1-4-8-17/h1,3-4,7-8,11,13,23H,2,5-6,9-10,14H2