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

Systemtic Name: N-(2-methylprop-2-enyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: N-(2-methylallyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-(3-nitrophenyl)thiazol-2-imine CAS Name: N-(2-methylprop-2-enyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-nitrophenyl)-2-thiazolimine IUPAC Name: N-(2-methylprop-2-enyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: 2-methylallyl-[3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-(3-nitrophenyl)-4-thiazolin-2-ylidene]amine Formula: C21H17N5O6S MolecularWeight: 467.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN=C1N(C(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC(=C)CN=C1N(C(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C21H17N5O6S/c1-13(2)9-22-21-24(18(11-33-21)14-4-3-5-16(6-14)25(27)28)23-10-15-7-19-20(32-12-31-19)8-17(15)26(29)30/h3-8,10-11H,1,9,12H2,2H3