4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C17H11N5O3S MolecularWeight: 365.36594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SC=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)S/C=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N5O3S/c23-22(24)15-7-6-13(25-15)8-9-26-17-14-10-20-21(16(14)18-11-19-17)12-4-2-1-3-5-12/h1-11H/b9-8+