1-(2-nitrophenyl)-N-[5-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine

Systemtic Name: 1-(2-nitrophenyl)-N-[5-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine Openeye Name: 1-(2-nitrophenyl)-N-[5-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine CAS Name: 1-(2-nitrophenyl)-N-[5-(1-pyrazolylmethyl)-1,3,4-thiadiazol-2-yl]methanimine IUPAC Name: 1-(2-nitrophenyl)-N-[5-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine Traditional Name: (E)-(2-nitrobenzylidene)-[5-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]amine Formula: C13H10N6O2S MolecularWeight: 314.3225

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NC2=NN=C(S2)CN3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=N/C2=NN=C(S2)CN3C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N6O2S/c20-19(21)11-5-2-1-4-10(11)8-14-13-17-16-12(22-13)9-18-7-3-6-15-18/h1-8H,9H2/b14-8+