N-[(E)-[3-(5-nitrofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(E)-[3-(5-nitrofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(E)-[3-(5-nitro-2-furyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(E)-[3-(5-nitro-2-furanyl)-1-phenyl-4-pyrazolyl]methylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(E)-[3-(5-nitrofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(E)-[3-(5-nitro-2-furyl)-1-phenyl-pyrazol-4-yl]methyleneamino]amine Formula: C21H14N6O3S MolecularWeight: 430.43926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(O3)[N+](=O)[O-])C=NNC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(O3)[N+](=O)[O-])/C=N/NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H14N6O3S/c28-27(29)19-11-10-17(30-19)20-14(13-26(25-20)15-6-2-1-3-7-15)12-22-24-21-23-16-8-4-5-9-18(16)31-21/h1-13H,(H,23,24)/b22-12+