5-(4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5-(4-phenoxyphenyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5-(4-phenoxyphenyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C21H16N2O2S2 MolecularWeight: 392.49394

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(NC1=S)SC=C2C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(NC1=S)SC=C2C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H16N2O2S2/c1-2-12-23-20(24)18-17(13-27-19(18)22-21(23)26)14-8-10-16(11-9-14)25-15-6-4-3-5-7-15/h2-11,13H,1,12H2,(H,22,26)