N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-pyridin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-pyridin-2-yl-piperazine-1-carbothioamide Openeye Name: N-[(E)-(5-nitro-2-furyl)methyleneamino]-4-(2-pyridyl)piperazine-1-carbothioamide CAS Name: N-[(E)-(5-nitro-2-furanyl)methylideneamino]-4-(2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carbothioamide Traditional Name: N-[(E)-(5-nitro-2-furyl)methyleneamino]-4-(2-pyridyl)piperazine-1-carbothioamide Formula: C15H16N6O3S MolecularWeight: 360.39094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=S)NN=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=S)N/N=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O3S/c22-21(23)14-5-4-12(24-14)11-17-18-15(25)20-9-7-19(8-10-20)13-3-1-2-6-16-13/h1-6,11H,7-10H2,(H,18,25)/b17-11+