3-(1,3-benzodioxol-5-ylmethyl)-4-(4-nitrophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-(4-nitrophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-(4-nitrophenyl)-N-(3-pyridyl)thiazol-2-imine CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-(4-nitrophenyl)-N-(3-pyridinyl)-2-thiazolimine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-(4-nitrophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine Traditional Name: [4-(4-nitrophenyl)-3-piperonyl-4-thiazolin-2-ylidene]-(3-pyridyl)amine Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=CSC3=NC4=CN=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=CSC3=NC4=CN=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O4S/c27-26(28)18-6-4-16(5-7-18)19-13-31-22(24-17-2-1-9-23-11-17)25(19)12-15-3-8-20-21(10-15)30-14-29-20/h1-11,13H,12,14H2