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

Systemtic Name: 7-oxidanylidene-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 7-oxo-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 7-oxo-5-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 7-oxo-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 7-keto-5-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C16H11N7OS MolecularWeight: 349.36984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)N4C(=N3)C(=CN4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)N4C(=N3)C(=CN4)C#N

InChI

InChI=1S/C16H11N7OS/c17-7-11-8-18-23-13(24)6-12(19-15(11)23)9-25-16-20-14(21-22-16)10-4-2-1-3-5-10/h1-6,8,18H,9H2,(H,20,21,22)