3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-nitrophenyl)-N-phenethyl-1,3-thiazol-2-imine

Systemtic Name: 3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-nitrophenyl)-N-phenethyl-1,3-thiazol-2-imine Openeye Name: 3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-(3-nitrophenyl)-N-phenethyl-thiazol-2-imine CAS Name: 3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-nitrophenyl)-N-phenethyl-2-thiazolimine IUPAC Name: 3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-nitrophenyl)-N-phenethyl-1,3-thiazol-2-imine Traditional Name: (6-nitro-1,3-benzodioxol-5-yl)methylene-[4-(3-nitrophenyl)-2-phenethylimino-4-thiazolin-3-yl]amine Formula: C25H19N5O6S MolecularWeight: 517.51326

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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(=CC=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H19N5O6S/c31-29(32)20-8-4-7-18(11-20)22-15-37-25(26-10-9-17-5-2-1-3-6-17)28(22)27-14-19-12-23-24(36-16-35-23)13-21(19)30(33)34/h1-8,11-15H,9-10,16H2