4-methyl-6-phenacylsulfanyl-2-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-methyl-6-phenacylsulfanyl-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-methyl-6-phenacylsulfanyl-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-methyl-6-(phenacylthio)-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-methyl-6-phenacylsulfanyl-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-methyl-6-(phenacylthio)-2-phenyl-pyrimidine-5-carbonitrile Formula: C20H15N3OS MolecularWeight: 345.4176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H15N3OS/c1-14-17(12-21)20(23-19(22-14)16-10-6-3-7-11-16)25-13-18(24)15-8-4-2-5-9-15/h2-11H,13H2,1H3