7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile

Systemtic Name: 7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: 7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: 7-oxo-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile IUPAC Name: 7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: 7-keto-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C19H12N4OS MolecularWeight: 344.38978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)C3=CNN4C3=NC=C(C4=O)C#N

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)C3=CNN4C3=NC=C(C4=O)C#N

InChI

InChI=1S/C19H12N4OS/c20-10-14-11-21-18-17(12-22-23(18)19(14)24)13-6-8-16(9-7-13)25-15-4-2-1-3-5-15/h1-9,11-12,22H