N-[(E)-(3-iodanyl-4,5-dimethoxy-phenyl)methylideneamino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(E)-(3-iodanyl-4,5-dimethoxy-phenyl)methylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(E)-(3-iodo-4,5-dimethoxy-phenyl)methyleneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(E)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(E)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(E)-(3-iodo-4,5-dimethoxy-benzylidene)amino]amine Formula: C16H14IN3O2S MolecularWeight: 439.27073

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)I)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC2=NC3=CC=CC=C3S2)I)OC

InChI

InChI=1S/C16H14IN3O2S/c1-21-13-8-10(7-11(17)15(13)22-2)9-18-20-16-19-12-5-3-4-6-14(12)23-16/h3-9H,1-2H3,(H,19,20)/b18-9+