2-[(E)-1-cyano-2-(4-nitrophenyl)ethenyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-olate

Systemtic Name: 2-[(E)-1-cyano-2-(4-nitrophenyl)ethenyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-olate Openeye Name: 2-[(E)-1-cyano-2-(4-nitrophenyl)vinyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-olate CAS Name: 2-[(E)-1-cyano-2-(4-nitrophenyl)ethenyl]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinolate IUPAC Name: 2-[(E)-1-cyano-2-(4-nitrophenyl)ethenyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-olate Traditional Name: 2-[(E)-1-cyano-2-(4-nitrophenyl)vinyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-olate Formula: C17H11N4O3S- MolecularWeight: 351.35924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)[O-])C(=CC3=CC=C(C=C3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)[O-])/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C#N)C

InChI

InChI=1S/C17H12N4O3S/c1-9-10(2)25-17-14(9)16(22)19-15(20-17)12(8-18)7-11-3-5-13(6-4-11)21(23)24/h3-7H,1-2H3,(H,19,20,22)/p-1/b12-7+