2-[(Z)-1-chloranyl-2-(3-nitrophenyl)ethenyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(Z)-1-chloranyl-2-(3-nitrophenyl)ethenyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(Z)-1-chloro-2-(3-nitrophenyl)vinyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(Z)-1-chloro-2-(3-nitrophenyl)ethenyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(Z)-1-chloro-2-(3-nitrophenyl)ethenyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(Z)-1-chloro-2-(3-nitrophenyl)vinyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H14ClN3O3S/c1-12-17(14-7-3-2-4-8-14)18-20(26)23-19(24-21(18)29-12)16(22)11-13-6-5-9-15(10-13)25(27)28/h2-11H,1H3,(H,23,24,26)/b16-11-