5-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 5-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 5-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 5-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C23H15N7OS MolecularWeight: 437.4765

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC(=O)N4C(=N3)C(=CN4)C#N)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC(=O)N4C(=N3)C(=CN4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C23H15N7OS/c24-12-17-13-25-30-19(31)11-18(26-22(17)30)14-32-23-27-20(15-7-3-1-4-8-15)21(28-29-23)16-9-5-2-6-10-16/h1-11,13,25H,14H2