4-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-6-methyl-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-6-methyl-2-phenyl-pyrimidine-5-carbonitrile Formula: C20H14ClN3OS MolecularWeight: 379.86266

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=C(C=C3)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3OS/c1-13-17(11-22)20(24-19(23-13)15-5-3-2-4-6-15)26-12-18(25)14-7-9-16(21)10-8-14/h2-10H,12H2,1H3