2-[(3-phenoxyphenyl)methylsulfanyl]-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3-phenoxyphenyl)methylsulfanyl]-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-phenoxyphenyl)methylsulfanyl]-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-phenoxyphenyl)methylthio]-3,5-diphenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(3-phenoxyphenyl)methylsulfanyl]-3,5-diphenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3-phenoxybenzyl)thio]-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one Formula: C31H22N2O2S2 MolecularWeight: 518.64858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC(=CC=C4)OC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC(=CC=C4)OC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H22N2O2S2/c34-30-28-27(23-12-4-1-5-13-23)21-36-29(28)32-31(33(30)24-14-6-2-7-15-24)37-20-22-11-10-18-26(19-22)35-25-16-8-3-9-17-25/h1-19,21H,20H2