3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazol-2-imine

Systemtic Name: 3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazol-2-imine Openeye Name: N-(4-isopropylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-phenyl-thiazol-2-imine CAS Name: 3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-phenyl-N-(4-propan-2-ylphenyl)-2-thiazolimine IUPAC Name: 3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazol-2-imine Traditional Name: (6-nitro-1,3-benzodioxol-5-yl)methylene-(2-p-cumenylimino-4-phenyl-4-thiazolin-3-yl)amine Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=CC=C3)N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=CC=C3)N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C26H22N4O4S/c1-17(2)18-8-10-21(11-9-18)28-26-29(23(15-35-26)19-6-4-3-5-7-19)27-14-20-12-24-25(34-16-33-24)13-22(20)30(31)32/h3-15,17H,16H2,1-2H3