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

Systemtic Name: 2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-5-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C25H21FN2O2S2 MolecularWeight: 464.574843

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCCCC(=O)C3=CC=C(C=C3)F)SC=C2C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCCCC(=O)C3=CC=C(C=C3)F)SC=C2C4=CC=CC=C4

InChI

InChI=1S/C25H21FN2O2S2/c1-2-14-28-24(30)22-20(17-7-4-3-5-8-17)16-32-23(22)27-25(28)31-15-6-9-21(29)18-10-12-19(26)13-11-18/h2-5,7-8,10-13,16H,1,6,9,14-15H2