2-[[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[5-(3-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile CAS Name: 2-[[5-(3-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile Traditional Name: 2-[[4-keto-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile Formula: C20H12N4O3S MolecularWeight: 388.39928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H12N4O3S/c21-9-14-4-1-2-5-15(14)10-23-12-22-19-18(20(23)25)17(11-28-19)13-6-3-7-16(8-13)24(26)27/h1-8,11-12H,10H2