3-(1,3-benzodioxol-5-ylmethylideneamino)-4-(4-nitrophenyl)-N-phenethyl-1,3-thiazol-2-imine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-(4-nitrophenyl)-N-phenethyl-1,3-thiazol-2-imine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyleneamino)-4-(4-nitrophenyl)-N-phenethyl-thiazol-2-imine CAS Name: 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-(4-nitrophenyl)-N-phenethyl-2-thiazolimine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-(4-nitrophenyl)-N-phenethyl-1,3-thiazol-2-imine Traditional Name: [4-(4-nitrophenyl)-2-phenethylimino-4-thiazolin-3-yl]-piperonylidene-amine Formula: C25H20N4O4S MolecularWeight: 472.5157

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NN3C(=CSC3=NCCC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=NN3C(=CSC3=NCCC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O4S/c30-29(31)21-9-7-20(8-10-21)22-16-34-25(26-13-12-18-4-2-1-3-5-18)28(22)27-15-19-6-11-23-24(14-19)33-17-32-23/h1-11,14-16H,12-13,17H2