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

Systemtic Name: 4-(4-bromophenyl)-N-methyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine Openeye Name: 4-(4-bromophenyl)-N-methyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiazol-2-imine CAS Name: 4-(4-bromophenyl)-N-methyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-thiazolimine IUPAC Name: 4-(4-bromophenyl)-N-methyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine Traditional Name: [4-(4-bromophenyl)-2-methylimino-4-thiazolin-3-yl]-[(6-nitro-1,3-benzodioxol-5-yl)methylene]amine Formula: C18H13BrN4O4S MolecularWeight: 461.28922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN4O4S/c1-20-18-22(15(9-28-18)11-2-4-13(19)5-3-11)21-8-12-6-16-17(27-10-26-16)7-14(12)23(24)25/h2-9H,10H2,1H3