4-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carbonitrile Openeye Name: 4-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carbonitrile CAS Name: 4-[(1,3-diphenyl-4-pyrazolyl)methylthio]-2,6-dimethyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-2,6-dimethylpyrimidine-5-carbonitrile Traditional Name: 4-[(1,3-diphenylpyrazol-4-yl)methylthio]-2,6-dimethyl-pyrimidine-5-carbonitrile Formula: C23H19N5S MolecularWeight: 397.49546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H19N5S/c1-16-21(13-24)23(26-17(2)25-16)29-15-19-14-28(20-11-7-4-8-12-20)27-22(19)18-9-5-3-6-10-18/h3-12,14H,15H2,1-2H3