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

Systemtic Name: 4-(3,4-dimethylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-(phenylmethyl)-1,3-thiazol-2-imine Openeye Name: N-benzyl-4-(3,4-dimethylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiazol-2-imine CAS Name: 4-(3,4-dimethylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-(phenylmethyl)-2-thiazolimine IUPAC Name: N-benzyl-4-(3,4-dimethylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine Traditional Name: benzyl-[4-(3,4-dimethylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-thiazolin-2-ylidene]amine Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=NCC3=CC=CC=C3)N2N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=NCC3=CC=CC=C3)N2N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5)C

InChI

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