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

Systemtic Name: 2-butylsulfanyl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-butylsulfanyl-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(butylthio)-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-butylsulfanyl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(butylthio)-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H24N2OS2 MolecularWeight: 384.55806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=C(C=C4)C

Isomeric SMILES

CCCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=C(C=C4)C

InChI

InChI=1S/C21H24N2OS2/c1-3-4-13-25-21-22-19-18(16-7-5-6-8-17(16)26-19)20(24)23(21)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3