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

Systemtic Name: 2-(3-methylbutylsulfanyl)-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-isopentylsulfanyl-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(3-methylbutylthio)-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-(3-methylbutylsulfanyl)-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(isoamylthio)-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C22H26N2OS2 MolecularWeight: 398.58464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCCC(C)C)SC4=C3CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCCC(C)C)SC4=C3CCCC4

InChI

InChI=1S/C22H26N2OS2/c1-14(2)12-13-26-22-23-20-19(17-6-4-5-7-18(17)27-20)21(25)24(22)16-10-8-15(3)9-11-16/h8-11,14H,4-7,12-13H2,1-3H3