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

Systemtic Name: 2-(3-chloranylbut-2-enylsulfanyl)-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-(3-chlorobut-2-enylsulfanyl)-3-(m-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(3-chlorobut-2-enylthio)-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-(3-chlorobut-2-enylsulfanyl)-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(3-chlorobut-2-enylthio)-3-(m-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H21ClN2OS2 MolecularWeight: 416.98724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC=C(C)Cl)SC4=C3CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC=C(C)Cl)SC4=C3CCCC4

InChI

InChI=1S/C21H21ClN2OS2/c1-13-6-5-7-15(12-13)24-20(25)18-16-8-3-4-9-17(16)27-19(18)23-21(24)26-11-10-14(2)22/h5-7,10,12H,3-4,8-9,11H2,1-2H3