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

Systemtic Name: 5-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-keto-2-(p-tolyl)ethyl]thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C25H22N2O2S2 MolecularWeight: 446.58438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O2S2/c1-4-13-27-24(29)22-20(18-9-5-16(2)6-10-18)14-30-23(22)26-25(27)31-15-21(28)19-11-7-17(3)8-12-19/h4-12,14H,1,13,15H2,2-3H3