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

Systemtic Name: 2-[(2-nitrophenyl)methylsulfanyl]-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(2-nitrophenyl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(2-nitrophenyl)methylthio]-5-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(2-nitrophenyl)methylsulfanyl]-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(2-nitrobenzyl)thio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=CC=CC=C3[N+](=O)[O-])SC=C2C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=CC=CC=C3[N+](=O)[O-])SC=C2C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O3S2/c1-2-12-24-21(26)19-17(15-8-4-3-5-9-15)14-29-20(19)23-22(24)30-13-16-10-6-7-11-18(16)25(27)28/h2-11,14H,1,12-13H2