3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-benzothiazol-2-imine

Systemtic Name: 3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-benzothiazol-2-imine Openeye Name: 3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-1,3-benzothiazol-2-imine CAS Name: 3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-benzothiazol-2-imine IUPAC Name: 3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-benzothiazol-2-imine Traditional Name: (Z)-(3-methyl-1,3-benzothiazol-2-ylidene)-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]amine Formula: C16H12N4O4S MolecularWeight: 356.35588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=NN=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=N\N=C\C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C16H12N4O4S/c1-19-11-4-2-3-5-15(11)25-16(19)18-17-8-10-6-13-14(24-9-23-13)7-12(10)20(21)22/h2-8H,9H2,1H3/b17-8+,18-16-