2-[(4-chlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(4-chlorophenyl)methylsulfanyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-5-(4-methylphenyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(4-chlorobenzyl)thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C23H19ClN2OS2 MolecularWeight: 438.99276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)Cl)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)Cl)CC=C

InChI

InChI=1S/C23H19ClN2OS2/c1-3-12-26-22(27)20-19(17-8-4-15(2)5-9-17)14-28-21(20)25-23(26)29-13-16-6-10-18(24)11-7-16/h3-11,14H,1,12-13H2,2H3