2-[(4-tert-butylphenyl)methylsulfanyl]-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C28H30N2OS2 MolecularWeight: 474.6806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)C(C)(C)C)SC5=C3CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)C(C)(C)C)SC5=C3CCCC5

InChI

InChI=1S/C28H30N2OS2/c1-18-9-15-21(16-10-18)30-26(31)24-22-7-5-6-8-23(22)33-25(24)29-27(30)32-17-19-11-13-20(14-12-19)28(2,3)4/h9-16H,5-8,17H2,1-4H3