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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C)C

InChI

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