1,5-dimethyl-4-[[3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-ylidene]amino]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[[3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-ylidene]amino]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[[3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-phenyl-thiazol-2-ylidene]amino]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[[3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-phenyl-2-thiazolylidene]amino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[[3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-ylidene]amino]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[[3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-phenyl-4-thiazolin-2-ylidene]amino]-2-phenyl-3-pyrazolin-3-one Formula: C28H22N6O5S MolecularWeight: 554.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC=CC=C4)N=CC5=CC6=C(C=C5[N+](=O)[O-])OCO6

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC=CC=C4)N=CC5=CC6=C(C=C5[N+](=O)[O-])OCO6

InChI

InChI=1S/C28H22N6O5S/c1-18-26(27(35)33(31(18)2)21-11-7-4-8-12-21)30-28-32(23(16-40-28)19-9-5-3-6-10-19)29-15-20-13-24-25(39-17-38-24)14-22(20)34(36)37/h3-16H,17H2,1-2H3