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

Systemtic Name: 5-(4-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(m-tolylmethylsulfanyl)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-[(3-methylphenyl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(3-methylbenzyl)thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C24H22N2OS2 MolecularWeight: 418.57428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2OS2/c1-4-12-26-23(27)21-20(19-10-8-16(2)9-11-19)15-28-22(21)25-24(26)29-14-18-7-5-6-17(3)13-18/h4-11,13,15H,1,12,14H2,2-3H3