N-[(E)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]phthalazin-1-amine

Systemtic Name: N-[(E)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]phthalazin-1-amine Openeye Name: N-[(E)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]phthalazin-1-amine CAS Name: N-[(E)-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylideneamino]-1-phthalazinamine IUPAC Name: N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]phthalazin-1-amine Traditional Name: [(E)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]-phthalazin-1-yl-amine Formula: C22H16N6S MolecularWeight: 396.46764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=NNC4=NN=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=N/NC4=NN=CC5=CC=CC=C54

InChI

InChI=1S/C22H16N6S/c1-2-8-18(9-3-1)28-15-17(21(27-28)20-11-6-12-29-20)14-24-26-22-19-10-5-4-7-16(19)13-23-25-22/h1-15H,(H,25,26)/b24-14+