2-[(4-chlorophenyl)methylsulfanyl]-5-phenyl-pyrimidine

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-phenyl-pyrimidine Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-phenyl-pyrimidine CAS Name: 2-[(4-chlorophenyl)methylthio]-5-phenylpyrimidine IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-phenylpyrimidine Traditional Name: 2-[(4-chlorobenzyl)thio]-5-phenyl-pyrimidine Formula: C17H13ClN2S MolecularWeight: 312.81652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N=C2)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N=C2)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN2S/c18-16-8-6-13(7-9-16)12-21-17-19-10-15(11-20-17)14-4-2-1-3-5-14/h1-11H,12H2