2-[(3-phenoxyphenyl)methylsulfanyl]-4,5-diphenyl-pyrimidine

Systemtic Name: 2-[(3-phenoxyphenyl)methylsulfanyl]-4,5-diphenyl-pyrimidine Openeye Name: 2-[(3-phenoxyphenyl)methylsulfanyl]-4,5-diphenyl-pyrimidine CAS Name: 2-[(3-phenoxyphenyl)methylthio]-4,5-diphenylpyrimidine IUPAC Name: 2-[(3-phenoxyphenyl)methylsulfanyl]-4,5-diphenylpyrimidine Traditional Name: 2-[(3-phenoxybenzyl)thio]-4,5-diphenyl-pyrimidine Formula: C29H22N2OS MolecularWeight: 446.56278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)SCC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)SCC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H22N2OS/c1-4-12-23(13-5-1)27-20-30-29(31-28(27)24-14-6-2-7-15-24)33-21-22-11-10-18-26(19-22)32-25-16-8-3-9-17-25/h1-20H,21H2