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

Systemtic Name: 2-[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[5-(3-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[5-(3-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[4-keto-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C14H8N4O3S MolecularWeight: 312.30332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=C2C(=O)N(C=N3)CC#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=C2C(=O)N(C=N3)CC#N

InChI

InChI=1S/C14H8N4O3S/c15-4-5-17-8-16-13-12(14(17)19)11(7-22-13)9-2-1-3-10(6-9)18(20)21/h1-3,6-8H,5H2