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

Systemtic Name: 3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-nitrophenyl)-N-propan-2-yl-1,3-thiazol-2-imine Openeye Name: N-isopropyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-(3-nitrophenyl)thiazol-2-imine CAS Name: 3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-nitrophenyl)-N-propan-2-yl-2-thiazolimine IUPAC Name: 3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-nitrophenyl)-N-propan-2-yl-1,3-thiazol-2-imine Traditional Name: isopropyl-[3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-(3-nitrophenyl)-4-thiazolin-2-ylidene]amine Formula: C20H17N5O6S MolecularWeight: 455.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O6S/c1-12(2)22-20-23(17(10-32-20)13-4-3-5-15(6-13)24(26)27)21-9-14-7-18-19(31-11-30-18)8-16(14)25(28)29/h3-10,12H,11H2,1-2H3