4-(1,3-diphenylpyrazol-4-yl)-2-phenacylsulfanyl-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 4-(1,3-diphenylpyrazol-4-yl)-2-phenacylsulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(1,3-diphenylpyrazol-4-yl)-2-phenacylsulfanyl-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(1,3-diphenyl-4-pyrazolyl)-2-(phenacylthio)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(1,3-diphenylpyrazol-4-yl)-2-phenacylsulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 4-(1,3-diphenylpyrazol-4-yl)-2-(phenacylthio)-6-phenyl-nicotinonitrile Formula: C35H24N4OS MolecularWeight: 548.65626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C#N)SCC(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C#N)SCC(=O)C6=CC=CC=C6

InChI

InChI=1S/C35H24N4OS/c36-22-30-29(31-23-39(28-19-11-4-12-20-28)38-34(31)27-17-9-3-10-18-27)21-32(25-13-5-1-6-14-25)37-35(30)41-24-33(40)26-15-7-2-8-16-26/h1-21,23H,24H2