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

Systemtic Name: 3-(4-ethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-(4-ethoxyphenyl)-2-(o-tolylmethylsulfanyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(4-ethoxyphenyl)-2-[(2-methylphenyl)methylthio]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(4-ethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-methylbenzyl)thio]-3-p-phenetyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C26H26N2O2S2 MolecularWeight: 462.62684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=CC=C4C)SC5=C3CCCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=CC=C4C)SC5=C3CCCC5

InChI

InChI=1S/C26H26N2O2S2/c1-3-30-20-14-12-19(13-15-20)28-25(29)23-21-10-6-7-11-22(21)32-24(23)27-26(28)31-16-18-9-5-4-8-17(18)2/h4-5,8-9,12-15H,3,6-7,10-11,16H2,1-2H3