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

Systemtic Name: 5-methyl-3-(4-methylphenyl)-2-pentylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 5-methyl-2-pentylsulfanyl-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 5-methyl-3-(4-methylphenyl)-2-(pentylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 5-methyl-3-(4-methylphenyl)-2-pentylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(amylthio)-5-methyl-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C23H28N2OS2 MolecularWeight: 412.61122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C3=C(S2)CCCC3C)C(=O)N1C4=CC=C(C=C4)C

Isomeric SMILES

CCCCCSC1=NC2=C(C3=C(S2)CCCC3C)C(=O)N1C4=CC=C(C=C4)C

InChI

InChI=1S/C23H28N2OS2/c1-4-5-6-14-27-23-24-21-20(19-16(3)8-7-9-18(19)28-21)22(26)25(23)17-12-10-15(2)11-13-17/h10-13,16H,4-9,14H2,1-3H3