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

Systemtic Name: 4-(4-cyclohexylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine Openeye Name: 4-(4-cyclohexylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-N-(3-pyridyl)thiazol-2-imine CAS Name: 4-(4-cyclohexylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-(3-pyridinyl)-2-thiazolimine IUPAC Name: 4-(4-cyclohexylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine Traditional Name: [4-(4-cyclohexylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-thiazolin-2-ylidene]-(3-pyridyl)amine Formula: C28H25N5O4S MolecularWeight: 527.5942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C3=CSC(=NC4=CN=CC=C4)N3N=CC5=CC6=C(C=C5[N+](=O)[O-])OCO6

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C3=CSC(=NC4=CN=CC=C4)N3N=CC5=CC6=C(C=C5[N+](=O)[O-])OCO6

InChI

InChI=1S/C28H25N5O4S/c34-33(35)24-14-27-26(36-18-37-27)13-22(24)15-30-32-25(17-38-28(32)31-23-7-4-12-29-16-23)21-10-8-20(9-11-21)19-5-2-1-3-6-19/h4,7-17,19H,1-3,5-6,18H2